Shanghai Pesticide Research Institute

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Profile: Shanghai Pesticide Research Institute specializes in providing agrochemcials, fine chemcicals, bio medical and APIs. Agro chemcials include chlorfenapyr, empenthrin, methylamino abamectin, pyrimethanil, flazasulfuron, pendimethalin and diflufenican. Fine chemicals include 2,6-dichloro-5-fluoro-3-pyridinecarbonitrile, 2,6-dichloro-5-fluoronicotinic acid, 2-amino-6-chloropurine, 2-chloro-5-fluoronicotinic acid, 2-chloroacrylic acid and 4-bromo-3-fluorobenzotrifluoride.

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• Methylamine

IUPAC Name: methanamine | CAS Registry Number: 74-89-5
Synonyms: Methanamine, METHYLAMINE, Monomethylamine, Aminomethane, Carbinamine, Mercurialin, N-Methylamine, Methylammonium, Aliphatic amine, Methylammonium ion, Methylamine solutions, Anhydrous Methylamine, JandaJel-NH2, Methylaminen [Dutch], Metilamine [Italian], Metyloamina [Polish], Methylamine solution, monomethylammonium ion, primary aliphatic amines, RCH2NH2

Molecular Formula:	CH₅N	Molecular Weight:	31.057100 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: BAVYZALUXZFZLV-UHFFFAOYSA-N

• Methyltrioctylammonium Chloride

IUPAC Name: methyl(trioctyl)azanium chloride | CAS Registry Number: 5137-55-3
Synonyms: Disperstat A, Disperstat W, Aliquat 336, Capriquat, Trioctylmethylammonium, Aliquat 336S, TOMAC, Adogen 464, Aliquat N 263, Aliquat 7402, Aliquat 128, Methyltrioctylammonium chloride, Trioctylmethylammonium chloride, Tricaprylylmethylammonium chloride, Tricaprylmethylammonium chloride, Methyltricaprylylammonium chloride, Trioctylmonomethylammonium chloride, 205613_ALDRICH, Tricaprylyl methyl ammonium chloride, 69485_FLUKA

Molecular Formula:	C₂₅H₅₄ClN	Molecular Weight:	404.155960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: XKBGEWXEAPTVCK-UHFFFAOYSA-M

• Monoglyme-Ethylene Glycol Dimethyl Ether

IUPAC Name: 1,2-dimethoxyethane | CAS Registry Number: 110-71-4
Synonyms: Monoglyme, Glyme, Egdme, 2,5-Dioxahexane, Dimethyl Cellosolve, 1,2-DIMETHOXYETHANE, Dimethoxyethane, Dimethylglycol, Dimethylcellosolve, Ethane, 1,2-dimethoxy-, Hisolve MMM, mono-Glyme, Glycol dimethyl ether, Ansul ether 121, Ethylene dimethyl ether, DME (glycol ether), Ethylene glycol dimethyl ether, 1,2-Dimethoxyethan, Ethylenglycoldimethylether, Ethylenglykoldimethylether

Molecular Formula:	C₄H₁₀O₂	Molecular Weight:	90.121000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: XTHFKEDIFFGKHM-UHFFFAOYSA-N

• N-{2-[4-(aminosulfonyl)phenyl]ethyl}-3-ethyl-4-methyl-2-oxo-1h-pyrrole-1-carboxamide

IUPAC Name: 4-ethyl-3-methyl-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2H-pyrrole-1-carboxamide | CAS Registry Number: 119018-29-0
Synonyms: 4-[2-[(3-Ethyl-4-methyl-2-oxo-3-pyrrolin-1-yl)carboxamido]ethyl]benzenesulfonamide, 3-Ethyl-4-methyl-2-oxo-2,5-dihydro-, 4-ethyl-3-methyl-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2H-pyrrole-1-carboxamide, n-(2-(4-(aminosulfonyl)phenyl)ethyl)-3-ethyl-2,5-dihydro-4-methyl-2-oxo-1h-pyrrole-1-carboxamide, N-[2-[4-(Aminosulfonyl)phenyl]ethyl]-3-ethyl-2,5-dihydro-4-methyl-2-oxo-1H-pyrrole-1-carboxamide, Glimepiride sulfonamide, AGN-PC-00FUSM, famoyl-phenyl)-ethyl]-amide, Oprea1_386350, SureCN14371709, CTK6D0380, MolPort-003-810-946, UNII-612913U5L6, STK993693, ZINC21298457, AKOS005657772, pyrrole-1-carboxylic acid [2-(4-sul, AG-A-70071, MCULE-6989287029, AC-18740

Molecular Formula:	C₁₆H₂₁N₃O₄S	Molecular Weight:	351.420640 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: AJEMFZRCUKJSES-UHFFFAOYSA-N

• N-Benzyl-3-pyrrolidone

IUPAC Name: 1-(phenylmethyl)pyrrolidin-3-one | CAS Registry Number: 775-16-6
Synonyms: N-Benzyl-3-pyrrolidinone, 1-Benzyl-3-pyrrolidinone, 1-(Benzyl)pyrrolidin-3-one, 185175_ALDRICH, EINECS 212-274-0, 3-Pyrrolidinone, 1-(phenylmethyl)-, ST5405397

Molecular Formula:	C₁₁H₁₃NO	Molecular Weight:	175.227020 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: DHGMDHQNUNRMIN-UHFFFAOYSA-N

• N-Benzylglycine

IUPAC Name: 2-(phenylmethylamino)acetic acid | CAS Registry Number: 17136-36-6
Synonyms: N-benzyl glycine, N-(Phenylmethyl)glycine, N-BENZ0YLGLYCINE, Glycine, N-(phenylmethyl)-, TPC-I032, EINECS 241-194-9, NSC166840, ST5408222, EU-0096385

Molecular Formula:	C₉H₁₁NO₂	Molecular Weight:	165.189140 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: KGSVNOLLROCJQM-UHFFFAOYSA-N

• N-Cetyl Bromide

IUPAC Name: 1-bromohexadecane | CAS Registry Number: 112-82-3
Synonyms: Cetyl bromide, Hexadecyl bromide, n-Hexadecyl bromide, Hexadecane, 1-bromo-, 1-Hexadecyl bromide, 1-BROMOHEXADECANE, n-Hexadecyl-1-bromide, 234451_ALDRICH, CID8213, NSC4193, NSC 4193, EINECS 204-008-7, AI3-11181, ST5410268

Molecular Formula:	C₁₆H₃₃Br	Molecular Weight:	305.337220 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: HNTGIJLWHDPAFN-UHFFFAOYSA-N

• n-Decyl Bromide

IUPAC Name: 1-bromodecane | CAS Registry Number: 112-29-8
Synonyms: n-Decyl bromide, Decyl bromide, Decane, 1-bromo-, 1-Decyl bromide, 1-BROMODECANE, 145785_ALDRICH, NSC 8780, EINECS 203-955-3, NSC8780, SBB008838, AI3-28586, LS-59281

Molecular Formula:	C₁₀H₂₁Br	Molecular Weight:	221.177740 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: MYMSJFSOOQERIO-UHFFFAOYSA-N

• N-Methyl Piperazine

IUPAC Name: 1-methylpiperazine | CAS Registry Number: 109-01-3
Synonyms: N-Methylpiperazine, 1-Methylpiperazine, 4-Methylpiperazine, N'-Methylpiperazine, PIPERAZINE, 1-METHYL-, 1-Methyl-piperazine, nchembio.87-comp44, N-METHYL-PIPERAZINE, CCRIS 6686, WLN: T6M DNTJ D1, 130001_ALDRICH, 14549_FLUKA, 68810_FLUKA, EINECS 203-639-5, NSC 30195, NSC30195, NSC30675, BRN 0102724, AI3-25360, LS-112841

Molecular Formula:	C₅H₁₂N₂	Molecular Weight:	100.162180 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: PVOAHINGSUIXLS-UHFFFAOYSA-N

• N-Methyl Pyrrolidone

IUPAC Name: 1-methylpyrrolidin-2-one | CAS Registry Number: 872-50-4
Synonyms: M-Pyrol, Methylpyrrolidone, N-Methylpyrrolidone, 1-Methylpyrrolidinone, 1-Methylpyrrolidone, N-Methyl-2-pyrrolidone, 2-Pyrrolidinone, 1-methyl-, 1-Methyl-2-pyrrolidone, N-Methylpyrrolidinone, 1-METHYL-2-PYRROLIDINONE, N-Methyl-2-pyrrolidinone, Methylpyrrolidinone, 1-methylpyrrolidin-2-one, 1-Methyl-5-pyrrolidinone, Methylpyrrolidone, N-, 1-Methylazacyclopentan-2-one, Methyl-2-pyrrolidinone, N-Methyl-gamma-butyrolactam, Pyrrolidinone, methyl-, 2-Pyrrolidinone, methyl-

Molecular Formula:	C₅H₉NO	Molecular Weight:	99.131060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: SECXISVLQFMRJM-UHFFFAOYSA-N

• N-Methyl-4-Piperidone

IUPAC Name: 1-methylpiperidin-4-one | CAS Registry Number: 1445-73-4
Synonyms: N-Methyl-4-piperidone, 1-Methyl-4-piperidone, 4-Piperidone, 1-methyl-, 1-Methyl-4-piperidione, 1-methylpiperidin-4-one, N-Methyl-4-piperidinone, 1-Methyl-4-piperidinone, 4-PIPERIDINONE, 1-METHYL-, 130036_ALDRICH, NSC66491, CID74049, EINECS 215-895-5, ST5214361, TL8000982, InChI=1/C6H11NO/c1-7-4-2-6(8)3-5-7/h2-5H2,1H

Molecular Formula:	C₆H₁₁NO	Molecular Weight:	113.157640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: HUUPVABNAQUEJW-UHFFFAOYSA-N

• N-Propyl-4-Piperidone

IUPAC Name: 1-propylpiperidin-4-one | CAS Registry Number: 23133-37-1
Synonyms: 1-Propyl-4-piperidone, n-Propyl-4-piperidone, 4-Piperidinone, 1-propyl-, 1-propylpiperidin-4-one, 279498_ALDRICH, EINECS 245-444-8, TL8001928, InChI=1/C8H15NO/c1-2-5-9-6-3-8(10)4-7-9/h2-7H2,1H

Molecular Formula:	C₈H₁₅NO	Molecular Weight:	141.210800 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: YGDZKYYCJUNORF-UHFFFAOYSA-N

• O-Diaminobenzene

IUPAC Name: benzene-1,2-diamine | CAS Registry Number: 95-54-5
Synonyms: 1,2-Benzenediamine, O-PHENYLENEDIAMINE, Orthamine, 2-Aminoaniline, o-Benzenediamine, o-Diaminobenzene, 1,2-Diaminobenzene, 1,2-Phenylenediamine, OPDA, PODA, o-Phenylene diamine, benzene-1,2-diamine, 2-Phenylene diamine, 2-aminophenylamine, CI Oxidation Base 16, Phenylenediamine, ortho-, o-Fenylendiamin [Czech], C.I. Oxidation Base 16, phenylene-1,2-dimaine, 1,2-Fenylendiamin [Czech]

Molecular Formula:	C₆H₈N₂	Molecular Weight:	108.141120 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: GEYOCULIXLDCMW-UHFFFAOYSA-N

• o-Fluoroaniline

IUPAC Name: 2-fluoroaniline | CAS Registry Number: 348-54-9
Synonyms: 2-FLUOROANILINE, Aniline, o-fluoro-, Benzenamine, 2-fluoro-, 2-Fluorobenzenamine, 1lgw, 1-Amino-2-fluorobenzene, F3401_ALDRICH, Aniline, o-fluoro- (8CI), 46470_FLUKA, NSC10299, EINECS 206-478-9, NSC 10299, UN2941, ZINC00157599, TL806458, AI3-52644, ST5213785, C11010, o-Fluoroaniline [UN2941] [Keep away from food], InChI=1/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H

Molecular Formula:	C₆H₆FN	Molecular Weight:	111.116943 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: FTZQXOJYPFINKJ-UHFFFAOYSA-N

• O-Phthalaldehyde

IUPAC Name: phthalaldehyde | CAS Registry Number: 643-79-8
Synonyms: o-Phthalaldehyde, Phthalic aldehyde, o-Phthaldialdehyde, phtharal, Phthalic dialdehyde, PHTHALALDEHYDE, Disopa, Phthaldialdehyde, o-Phthaldehyde, Phthalyldicarboxaldehyde, 1,2-Benzenedicarboxaldehyde, Phtharal (JAN), ortho-Phthalaldehyde, Orthophthaldialdehyde, Disopa (TN), Phtalaldehydes [French], Phthalic dicarboxaldehyde, ortho-Phthalic Aldehyde, Phthaldialdehyde Reagent, o-Phthalic dicarboxaldehyde

Molecular Formula:	C₈H₆O₂	Molecular Weight:	134.132040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: ZWLUXSQADUDCSB-UHFFFAOYSA-N

• Ortho Chlorobenzylamine

IUPAC Name: (2-chlorophenyl)methanamine | CAS Registry Number: 89-97-4
Synonyms: 2-Chlorobenzylamine, o-Chlorobenzylamine, Benzylamine, o-chloro-, Benzenemethanamine, 2-chloro-, (2-Chlorophenyl)methanamine, C27204_ALDRICH, Benzylamine, o-chloro- (8CI), NSC60118, EINECS 201-955-8, NSC 60118, SBB004151, TL8005794

Molecular Formula:	C₇H₈ClN	Molecular Weight:	141.598120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: KDDNKZCVYQDGKE-UHFFFAOYSA-N

• p-Hydroxybenzophenone

IUPAC Name: (4-hydroxyphenyl)-phenylmethanone | CAS Registry Number: 1137-42-4
Synonyms: p-Benzoylphenol, 4-Hydroxybenzophenone, 4-Benzoylphenol, P-HYDROXYBENZOPHENONE, Benzophenone, 4-hydroxy-, 4'-Hydroxybenzophenone, para-hydroxybenzophenone, (4-Hydroxyphenyl)phenylmethanone, Methanone, (4-hydroxyphenyl)phenyl-, (4-Hydroxyphenyl)(phenyl)methanone, H20202_ALDRICH, nchembio.2007.32-comp8, 4-HYDROXY-BENZOPHENONE, NSC 1887, 4-hydroxybenzophenone, ion(1-), 54800_FLUKA, EINECS 214-507-1, NSC1887, STK045122, ZINC00388760

Molecular Formula:	C₁₃H₁₀O₂	Molecular Weight:	198.217300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: NPFYZDNDJHZQKY-UHFFFAOYSA-N

• P-Methoxybenzoyl Chloride

IUPAC Name: 4-methoxybenzoyl chloride | CAS Registry Number: 100-07-2
Synonyms: Anisoyl chloride, P-ANISOYL CHLORIDE, 4-Anisoyl chloride, p-Anisyl chloride, 4-Methoxybenzoyl chloride, p-Methoxybenzoyl chloride, Benzoyl chloride, 4-methoxy-, Benzoyl chloride, p-methoxy-, p-Methoxybenzoic acid chloride, WLN: GVR BO1, 4-Methoxybenzoic acid chloride, p-Anisoyl chloride (8CI), A88476_ALDRICH, HSDB 447, CID7477, NSC86125, Benzoic acid, 4-methoxy-, chloride, EINECS 202-816-4, NSC 86125, UN1729

Molecular Formula:	C₈H₇ClO₂	Molecular Weight:	170.592980 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: MXMOTZIXVICDSD-UHFFFAOYSA-N

• p-Nitrophenyl Chloroformate

IUPAC Name: (4-nitrophenyl) carbonochloridate | CAS Registry Number: 7693-46-1
Synonyms: 4-Nitrophenyl chloroformate, Ambap1590, p-Nitrophenyl chloroformate, 160210_ALDRICH, 23240_FLUKA, Carbonochloridic acid, 4-nitrophenyl ester, EINECS 231-706-9, ZINC02567958, Chloroformic acid 4-nitrophenyl ester, Formic acid, chloro-, p-nitrophenyl ester, AI3-52204, TL8005284

Molecular Formula:	C₇H₄ClNO₄	Molecular Weight:	201.563960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: NXLNNXIXOYSCMB-UHFFFAOYSA-N

• Pendimethalin

IUPAC Name: 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline | CAS Registry Number: 40487-42-1
Synonyms: Penoxaline, PENDIMETHALIN, Prowl, Pendimethaline, Tendimethalin, Phenoxalin, Herbadox, Penoxalin, Accotab, Penoxyn, Sipaxol, Stomp, Wayup, Wax Up, Way Up, Go-Go-San, SWGC, Stomp 330D, Stomp 330E, Caswell No. 454BB

Molecular Formula:	C₁₃H₁₉N₃O₄	Molecular Weight:	281.307660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: CHIFOSRWCNZCFN-UHFFFAOYSA-N

• Phenyl Boronic Acid

IUPAC Name: phenylboronic acid | CAS Registry Number: 98-80-6
Synonyms: Phenylboronic acid, Benzeneboronic acid, Phenylboric acid, Phenyldihydroxyborane, Boronic acid, phenyl-, Borophenylic acid, phenylboranediol, Dihydroxyphenylborane, Boric acid, phenyl-, Dihydroxy(phenyl)borane, Acide phenylborique, PHENYL BORONIC ACID, USAF BO-2, Phenylboron dihydroxide, nchembio.87-comp40, WLN: QBQR, Acide phenylborique [French], Kyselina fenylborita [Czech], P20009_ALDRICH, ARONIS010113

Molecular Formula:	C₆H₇BO₂	Molecular Weight:	121.929580 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: HXITXNWTGFUOAU-UHFFFAOYSA-N

• Picolinic Acid

IUPAC Name: pyridine-2-carboxylic acid | CAS Registry Number: 98-98-6
Synonyms: picolinic acid, 2-Carboxypyridine, 2-Pyridinecarboxylic acid, Nicogamol, Nikogamol, picolinate, 2-Picolinic acid, alpha-Picolinic acid, o-Pyridinecarboxylic acid, Pyridine-2-carboxylic acid, 2-pyridinecarboxylate, alpha-Pyridinecarboxylic acid, Acide picolique [French], 2-pyridine carboxylic acid, Oprea1_485360, P42800_ALDRICH, MLS001335931, MLS001335932, PYRIDINECARBOXYLIC ACID, NSC 171

Molecular Formula:	C₆H₅NO₂	Molecular Weight:	123.109400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: SIOXPEMLGUPBBT-UHFFFAOYSA-N

• Potassium Tertiary Butoxide

IUPAC Name: potassium 2-methylpropan-2-olate | CAS Registry Number: 865-47-4
Synonyms: Potassium tert-butanolate, Potassium T-butoxide, Potassium tert-butoxide, tert-Butoxide, potassium, 156671_ALDRICH, 328650_ALDRICH, 331341_ALDRICH, 659878_ALDRICH, Potassium tert-butoxide solution, 60098_FLUKA, CID70077, EINECS 212-740-3, 2-Propanol, 2-methyl-, potassium salt, POTASSIUM tert-BUTOXIDE, DRY, 99%, TL8005619, 102528-14-3

Molecular Formula:	C₄H₉KO	Molecular Weight:	112.211960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: LPNYRYFBWFDTMA-UHFFFAOYSA-N

• Propiconazole

IUPAC Name: 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole | CAS Registry Number: 60207-90-1
Synonyms: PROPICONAZOLE, Tilt, Banner, Desmel, Orbit, Radar, Propyconazol, Caswell No. 323EE, Propiconazole solution, Propiconazole [BSI:ISO], PS1075_SUPELCO, Oprea1_008846, Oprea1_352194, HSDB 6731, MLS000525333, C15H17Cl2N3O2, 45642_RIEDEL, 45899_RIEDEL, CGD 92710F, EINECS 262-104-4

Molecular Formula:	C₁₅H₁₇Cl₂N₃O₂	Molecular Weight:	342.220380 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: STJLVHWMYQXCPB-UHFFFAOYSA-N

• Pyrazole

IUPAC Name: 1H-pyrazole | CAS Registry Number: 288-13-1
Synonyms: pyrazole, 1H-Pyrazole, 1,2-diazole, 1H-pyrazol, WLN: T5MNJ, P56607_ALDRICH, C3H4N2, NSC45410, CHEBI:17241, EINECS 206-017-1, CID1048, NSC 45410, AIDS069154, AIDS-069154, ZINC00895257, AI3-60151, NCI60_004054, ST007565, LS-127884, TL8002272

Molecular Formula:	C₃H₄N₂	Molecular Weight:	68.077260 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: WTKZEGDFNFYCGP-UHFFFAOYSA-N

• Pyrethrum

IUPAC Name: [(1S)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate | CAS Registry Number: 8003-34-7
Synonyms: Pyrethrins, Firmotox, Pyrenone, Pyrethrin, Pyrocide, Pyronyl, Buhach, Trieste flowers, Insect powder, Pyrethroids, Pyretrin II, PYRETHRUM, Cinerin I or II, Jasmolin I or II, Pyrethrin I or II, Persian insect powder, Caswell No. 716, PYRETHRIN II, Dalmatian insect powder, Pyrethrum (insecticide)

Molecular Formula:	C₂₂H₂₈O₅	Molecular Weight:	372.454720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: VJFUPGQZSXIULQ-QYVAASDLSA-N

• Pyruvic Aldehyde Dimethyl Acetal

IUPAC Name: 1,1-dimethoxypropan-2-one | CAS Registry Number: 6342-56-9
Synonyms: 1,1-Dimethoxyacetone, 2-Propanone, 1,1-dimethoxy-, 1,1-Dimethoxy-2-propanone, Dimethoxymethyl methyl ketone, Methylglyoxal dimethyl acetal, Pyruvaldehyde dimethyl acetal, Pyruvic aldehyde dimethyl acetal, 170216_ALDRICH, Pyruvaldehyde-1-dimethyl acetal, Pyruvaldehyde, 1-(dimethyl acetal), 67035_FLUKA, METHYLGLYOXALDIMETHYLACETAL, Methylglyoxal 1,1-dimethyl acetal, NSC50127, EINECS 228-735-4, NSC 50127, ZINC01681744, AI3-37790

Molecular Formula:	C₅H₁₀O₃	Molecular Weight:	118.131100 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: ULVSHNOGEVXRDR-UHFFFAOYSA-N

• Rimsulfuron

IUPAC Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-(3-ethylsulfonylpyridin-2-yl)sulfonylurea | CAS Registry Number: 122931-48-0
Synonyms: Matrix, Tarot, Titus, Rimsulfuron [ANSI], DPX-E9636, DPX-E 9636, NCGC00163825-01, NCGC00163825-02, LS-131962, C10952, 1-(4,6-Dimethoxypyrimidin-2-yl)-3-(3-ethylsulfonyl-2-pyridylsulfonyl)urea, 2-Pyridinesulfonamide, N-(((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)-3-(ethylsulfonyl)-, N-(((4,6-Dimethoxy-2-pyrimidinyl)amino)carbonyl)-3-(ethylsulfonyl)-2-pyridinesulfonamide, N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-3-(ethylsulfonyl)pyridine-2-sulfonamide

Molecular Formula:	C₁₄H₁₇N₅O₇S₂	Molecular Weight:	431.444080 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	10

InChIKey: MEFOUWRMVYJCQC-UHFFFAOYSA-N

• Solid Carbonyl Chloride

IUPAC Name: bis(trichloromethyl) carbonate | CAS Registry Number: 32315-10-9
Synonyms: Triphosgene, tri-Phosgene, Bis(trichloromethyl) carbonate, 330752_ALDRICH, 15217_FLUKA, EINECS 250-986-3, ZINC04262022, Methanol, trichloro-, carbonate (2:1)

Molecular Formula:	C₃Cl₆O₃	Molecular Weight:	296.748300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: UCPYLLCMEDAXFR-UHFFFAOYSA-N

• Tempo

IUPAC Name: 1-$l^{1}-oxidanyl-2,2,6,6-tetramethylpiperidine | CAS Registry Number: 2564-83-2
Synonyms: Tanane, Tanan, TEMPO, Tetramethylpiperidinooxy, Tetramethylpiperidine nitroxide, C9H19NO, 2,2,6,6-Tetramethylpiperidoxyl, 2,2,6,6-Tetramethylpiperidinooxy, 214000_ALDRICH, 426369_ALDRICH, 2,2,6,6-Tetramethylpiperidinooxyl, 2,2,6,6-Tetramethylpiperidinyloxy, 87903_FLUKA, CHEBI:32849, EINECS 219-888-8, 2,2,6,6-Tetramethyl-1-piperidinyloxy, 2,2,6,6-Tetramethylpiperidine-1-oxyl, BRN 1422418, 1-Piperidinyloxy, 2,2,6,6-tetramethyl-, PIPERIDINOOXY, 2,2,6,6-TETRAMETHYL-

Molecular Formula:	C₉H₁₈NO	Molecular Weight:	156.245320 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: QYTDEUPAUMOIOP-UHFFFAOYSA-N

• Tetramethrin

IUPAC Name: (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate | CAS Registry Number: 7696-12-0
Synonyms: Neopinamine, Neopinamin, Tetramethrin (INN), Maybridge1_001977, PS1042_SUPELCO, Oprea1_283726, 45681_RIEDEL, CHEBI:39397, BTB 11171, NCGC00168352-01, Cyclohexene-1-dicarboximidomethylchrysanthemate, LS-96127, D07368, SR-01000641045-1, (1,3-dioxo-2,3,4,5,6,7-hexahydro-1H-inden-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate, 66525-27-7, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester

Molecular Formula:	C₁₉H₂₅NO₄	Molecular Weight:	331.406100 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: CXBMCYHAMVGWJQ-UHFFFAOYSA-N

• Trichloroisocyanuric Acid (TCCA)

IUPAC Name: 1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione | CAS Registry Number: 87-90-1
Synonyms: Symclosene, Symclosen, Trichlorocyanuric acid, Chloreal, Isocyanuric chloride, Fichlor 91, Trichloroisocyanic acid, Fi Clor 91, Neochlor 90, Trichloroisocyanurate, TRICHLOROISOCYANURIC ACID, Trichloro-s-triazinetrione, Trichlorisocyanursaeure, Caswell No. 876B, Symclosene [USAN:INN], Symclosenum [INN-Latin], Trichlorinated isocyanuric acid, ACL 85, Sincloseno [INN-Spanish], 1,3,5-Trichloroisocyanuric acid

Molecular Formula:	C₃Cl₃N₃O₃	Molecular Weight:	232.409400 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: YRIZYWQGELRKNT-UHFFFAOYSA-N

• Triethyl Orthoacetate

IUPAC Name: 1,1,1-triethoxyethane | CAS Registry Number: 78-39-7
Synonyms: Ethyl orthoacetate, Triethyl orthoacetate, 1,1,1-Triethoxyethane, Ethane, 1,1,1-triethoxy-, Orthoacetic acid, triethyl ester, T60402_ALDRICH, 75580_FLUKA, NSC5596, NSC 5596, EINECS 201-112-4, ZINC00154691, Orthoacetic acid, triethyl ester (8CI), AI3-23843, LS-191571, ETHANE,1,1,1-TRIETHOXY ORTHOACETIC ACID,TRIETHYL ESTER, InChI=1/C8H18O3/c1-5-9-8(4,10-6-2)11-7-3/h5-7H2,1-4H

Molecular Formula:	C₈H₁₈O₃	Molecular Weight:	162.226720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: NDQXKKFRNOPRDW-UHFFFAOYSA-N

• Triethyl Orthoformate

IUPAC Name: diethoxymethoxyethane | CAS Registry Number: 122-51-0
Synonyms: Triethoxymethane, Aethon, Ethone, Triethyl orthoformate, ETHYL ORTHOFORMATE, Methane, triethoxy-, Ethyl formate(ortho), diethoxy-methoxy-ethane, Orthomravencan ethylnaty, 1,1,1-Triethoxymethane, Orthoformic acid triethyl ester, Orthoformic acid, ethyl ester, Orthoformic acid, triethyl ester, Orthoformic acid ethyl ester, T60453_ALDRICH, Orthomravencan ethylnaty [Czech], Ethylester kyseliny orthomravenci, NSC 5289, Orthoformic acid ethyl ester (VAN), WLN: 2OYO2 & O2

Molecular Formula:	C₇H₁₆O₃	Molecular Weight:	148.200140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: GKASDNZWUGIAMG-UHFFFAOYSA-N

• Triethylenediamine

IUPAC Name: 1,4-diazabicyclo[2.2.2]octane | CAS Registry Number: 280-57-9
Synonyms: Dabco, Dabco crystal, Dabco EG, Dabco 33LV, TEDA, Thancat TD 33, 1,4-Ethylenepiperazine, Texacat TD 100, Dabco S-25, 1,4-Diazabicyclo[2.2.2]octane, 1,4-Diazabicyclo-octane, Dabco 33-LV, Dabco R-8020, N,N'-endo-Ethylenepiperazine, D 33LV, CCRIS 6692, D27802_ALDRICH, HSDB 5556, 1,4-Diazobicyclo(2.2.2)octane, 290734_ALDRICH

Molecular Formula:	C₆H₁₂N₂	Molecular Weight:	112.172880 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: IMNIMPAHZVJRPE-UHFFFAOYSA-N

• Triethylenetetramine (TETA)

IUPAC Name: N,N'-bis(2-aminoethyl)ethane-1,2-diamine | CAS Registry Number: 112-24-3
Synonyms: trientine, Trien, TRIETHYLENETETRAMINE, Tecza, TETA, Triethylene tetramine, Araldite HY 951, triethylenetetraamine, 2,2,2-tetramine, nchem.125-comp2, Trientinum [INN-Latin], Trientina [INN-Spanish], 1,4,7,10-Tetraazadecane, Araldite hardener HY 951, DEH 24, 1,8-Diamino-3,6-diazaoctane, 3,6-Diazaoctane-1,8-diamine, CCRIS 6279, WLN: Z2M2M2Z, HSDB 1002

Molecular Formula:	C₆H₁₈N₄	Molecular Weight:	146.233920 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: VILCJCGEZXAXTO-UHFFFAOYSA-N

• Trimethyl Pyruvic Acid

IUPAC Name: 3,3-dimethyl-2-oxobutanoic acid | CAS Registry Number: 815-17-8
Synonyms: Pyruvic acid, trimethyl-, tert-Butylglyoxylic acid, TRIMETHYLPYRUVIC ACID, Glyoxylic acid, tert-butyl-, Butanoic acid, 3,3-dimethyl-2-oxo-, 3,3-Dimethyl-2-oxobutyric acid, 3,3-Dimethyl-2-oxobutanoic acid, Butyric acid, 3,3-dimethyl-2-oxo-, HSDB 5757, 3,3-Dimethyl-2-oxo-butanoic acid, NSC16648, EINECS 212-418-2, NSC 16648, AI3-11509, TL8006696

Molecular Formula:	C₆H₁₀O₃	Molecular Weight:	130.141800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: IAWVHZJZHDSEOC-UHFFFAOYSA-N

• Tropine

IUPAC Name: 8-methyl-8-azabicyclo[3.2.1]octan-3-ol | CAS Registry Number: 120-29-6
Synonyms: Pseudotropine, Pseudotropanol, 3alpha-Tropanol, Tropanol, Tropin, 3-Pseudotropanol, psi-Tropine, 3beta-Tropanol, 3-beta-Tropanol, 3-alpha-Tropanol, 3.beta.-Tropanol, 3.alpha.-Tropanol, Prestwick0_001077, Prestwick1_001077, Prestwick2_001077, Prestwick3_001077, Oprea1_099397, BSPBio_001094, NSC43870, NSC43871

Molecular Formula:	C₈H₁₅NO	Molecular Weight:	141.210800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: CYHOMWAPJJPNMW-UHFFFAOYSA-N

• Zinc Phosphate

IUPAC Name: trizinc diphosphate | CAS Registry Number: 7779-90-0
Synonyms: Delaphos, Zinc orthophosphate, Delaphos 2M, Bonderite 40, Granodine 80, Microphos 90, Trizinc diphosphate, Granodine 16NC, Zinc acid phosphate, Bonderite 181, Bonderite 880, Pigment White 32, Heucophos ZP 10, Phosphinox PZ 06, Sicor ZNP/M, Sicor ZNP/S, Zinc ortho-phosphate, Virchem 931, Fleck's Extraordinary, LF Bowsei PW 2

Molecular Formula:	O₈P₂Zn₃	Molecular Weight:	386.169722 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	8

InChIKey: LRXTYHSAJDENHV-UHFFFAOYSA-H

• 2-(1-Methylethoxy)-Phenyl Methylcarbamate

IUPAC Name: (2-propan-2-yloxyphenyl) N-methylcarbamate | CAS Registry Number: 114-26-1
Synonyms: propoxur, Baygon, Aprocarb, Sendran, Propoxylor, Blattanex, Blattosep, Mrowkozol, Propotox, Propoxure, Isocarb, Propyon, Suncide, Boruho, Brygou, Rhoden, Tendex, Bifex, Bolfo, Dalf dust

Molecular Formula:	C₁₁H₁₅NO₃	Molecular Weight:	209.241700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ISRUGXGCCGIOQO-UHFFFAOYSA-N

• 2,6-Xylidine

IUPAC Name: 2,6-dimethylaniline | CAS Registry Number: 87-62-7
Synonyms: 2,6-Dimethylaniline, o-Xylidine, 2,6-XYLIDINE, 2-Amino-m-xylene, Xylylamine, 2,6-Xylylamine, o-Xylidine (VAN), Benzenamine, 2,6-dimethyl-, 2-Amino-1,3-xylene, 2,6-Dimethylbenzenamine, Aniline, 2,6-dimethyl-, 2,6-Dimethylphenylamine, 2-Amino-1,3-dimethylbenzene, 1-Amino-2,6-dimethylbenzene, 2,6-xylidine hydrochloride, CCRIS 2373, 2,6-xylidine, 3H-labeled, NCI-C56188, HSDB 2094, D146005_ALDRICH

Molecular Formula:	C₈H₁₁N	Molecular Weight:	121.179640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: UFFBMTHBGFGIHF-UHFFFAOYSA-N

• 4-Chlorobenzaldehyde

IUPAC Name: 4-chlorobenzaldehyde | CAS Registry Number: 104-88-1
Synonyms: Benzaldehyde, p-chloro-, P-CHLOROBENZALDEHYDE, Benzaldehyde, 4-chloro-, 4-Chlorobenzenaldehyde, PCAD, p-Chlorobenzenecarboxaldehyde, 4-chlorobenzoic aldehyde, CCRIS 857, 112216_ALDRICH, NSC 2078, 23491_FLUKA, EINECS 203-247-4, NSC2078, c0418, LS-382, ZINC00896325, AI3-52280, NCGC00091804-01, ST5213377, C06648

Molecular Formula:	C₇H₅ClO	Molecular Weight:	140.567000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: AVPYQKSLYISFPO-UHFFFAOYSA-N

• 4-Fluoro-3-Nitrobenzotrifluoride

IUPAC Name: 1-fluoro-2-nitro-4-(trifluoromethyl)benzene | CAS Registry Number: 367-86-2
Synonyms: FNBT, 4-Fluoro-3-nitrobenzotrifluoride, 3-Nitro-4-fluoro benzotrifluoride, 214337_ALDRICH, 346640_ALDRICH, JRD-0165, NSC10303, EINECS 206-702-5, SBB009902, ZINC00056533, 3-Nitro-alpha,alpha,alpha,4-tetrafluorotoluene, 4,alpha,alpha,alpha-Tetrafluoro-3-nitrotoluene, InChI=1/C7H3F4NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3

Molecular Formula:	C₇H₃F₄NO₂	Molecular Weight:	209.097833 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: HLDFCCHSOZWKAA-UHFFFAOYSA-N

• 5-Nitro-1.3-Benzene Dicarboxylic Acid

IUPAC Name: 5-nitrobenzene-1,3-dicarboxylic acid | CAS Registry Number: 618-88-2
Synonyms: 5-Nitroisophthalic acid, Isophthalic acid, 5-nitro-, 5-NITRO-M-PHTHALIC ACID, N18005_ALDRICH, 73450_FLUKA, 1,3-Benzenedicarboxylic acid, 5-nitro-, 1-Nitrobenzene-3,5-dicarboxylic acid, 5-Nitro-1,3-benzenedicarboxylic acid, AIDS019417, AIDS-019417, NSC66545, EINECS 210-568-3, Isophthalic acid, 5-nitro- (8CI), NSC 66545, 5-Nitrobenzene-1,3-dicarboxylic acid, SL-02131, TL8003971

Molecular Formula:	C₈H₅NO₆	Molecular Weight:	211.128400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: NBDAHKQJXVLAID-UHFFFAOYSA-N

• 2,4-Dichlorophenylhydrazine HCL

IUPAC Name: (2,4-dichlorophenyl)hydrazine | CAS Registry Number: 5446-18-4
Synonyms: (2,4-dichlorophenyl)hydrazine, 1-(2,4-Dichlorophenyl)hydrazine, Hydrazine, (2,4-dichlorophenyl)-, ALBB-008833, NSC17186, CID408929, ZINC00085236, A2253/0094888

Molecular Formula:	C₆H₆Cl₂N₂	Molecular Weight:	177.031240 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: ZTPAUBJZUBGGEY-UHFFFAOYSA-N

• 4-Hydroxypiperidine

IUPAC Name: piperidin-4-ol | CAS Registry Number: 5382-16-1
Synonyms: 4-Piperidinol, Piperidin-4-ol, 128775_ALDRICH, NSC62083, 56220_FLUKA, BB_SC-2766, CID79341, EINECS 226-373-1, NSC 62083, TL806407, AI3-39158

Molecular Formula:	C₅H₁₁NO	Molecular Weight:	101.146940 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: HDOWRFHMPULYOA-UHFFFAOYSA-N

• 2-Amino-5-bromobenzonitrile

IUPAC Name: 2-amino-5-bromobenzonitrile | CAS Registry Number: 39263-32-6
Synonyms: 642827_ALDRICH, EINECS 254-387-8, SBB016926, ZINC00730504, D1099, TL80074009, AN-584/43264770

Molecular Formula:	C₇H₅BrN₂	Molecular Weight:	197.032000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: OATYCBHROMXWJO-UHFFFAOYSA-N

• 2,4-Dinitrophenylhydrazine

IUPAC Name: (2,4-dinitrophenyl)hydrazine | CAS Registry Number: 119-26-6
Synonyms: 2,4-Dnph, dinitrophenylhydrazine, Hydrazine, (2,4-dinitrophenyl)-, (2,4-Dinitrophenyl)hydrazine, 2,4-Dinitrofenylhydrazin, WLN: ZMR BNW DNW, 1-Hydrazino-2,4-dinitrobenzene, 2,4-dinitrophebylhydrazine, CCRIS 3140, D199303_ALDRICH, 2,4-Dinitrofenylhydrazin [Czech], 1-hydrazine-2,4-dinitrobenzene, NSC 5709, 1-(2,4-Dinitrophenyl)hydrazine, 18189_FLUKA, 42210_FLUKA, EINECS 204-309-3, NSC5709, BRN 0615586, ZINC03860431

Molecular Formula:	C₆H₆N₄O₄	Molecular Weight:	198.136240 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: HORQAOAYAYGIBM-UHFFFAOYSA-N

• 2-Cyano Pyridine

IUPAC Name: pyridine-2-carbonitrile | CAS Registry Number: 100-70-9
Synonyms: Picolinonitrile, 2-Cyanopyridine, 2-Pyridyl nitrile, 2-PYRIDINECARBONITRILE, Picolinic acid nitrile, Pyridine-2-carbonitrile, Pyridinecarbonitrile, Picolinonitrile (8CI), C94602_ALDRICH, 2-Pyridinecarboxylic acid, nitrile, CHEBI:27837, HSDB 5338, NSC59697, EINECS 202-880-3, NSC 59697, SBB008920, ZINC00404339, TL8007316, C02221, InChI=1/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4

Molecular Formula:	C₆H₄N₂	Molecular Weight:	104.109360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: FFNVQNRYTPFDDP-UHFFFAOYSA-N

• 4-Bromophenol

IUPAC Name: 4-bromophenol | CAS Registry Number: 106-41-2
Synonyms: p-Bromophenol, 4-BROMOPHENOL, Phenol, 4-bromo-, Phenol, p-bromo-, p-Bromophenic acid, p-Bromohydroxybenzene, CCRIS 632, B75808_ALDRICH, 442405_SUPELCO, NSC 4970, EINECS 203-394-4, NSC4970, AIDS017751, AIDS-017751, ZINC00404316, AI3-14903, TL806339, LS-104088, ST5214520, C14453

Molecular Formula:	C₆H₅BrO	Molecular Weight:	173.007300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: GZFGOTFRPZRKDS-UHFFFAOYSA-N