Shanghai Chemrole Co., Ltd.

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Profile: Shanghai Chemrole Co., Ltd. specializes in providing active pharmaceutical ingredients and fine chemicals. Our active pharmaceutical ingredients include travoprost, latanoprost, isopropyl unoprostone, bimatoprost, alprostadil, lubiprostone, etiproston, dinoprostone, cloprostenol and tiaprost. We offer a wide range of fine chemicals including 2,4-dichloropyrimidine, 4,6- dichloropyrimidine, 4,6-dichloro-2-methylpyrimidine, 2-amino-4,6-dimethylpyrimidine, 2-amino-4-chloro-6-methoxypyrimidine, 3-nitrobenzotrifluoride, 3-aminotrifluorotoluene and 2,3-difluoro-5-chloro pyridine.

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• 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-Hydroxy Propiophenone

IUPAC Name: 1-(2-hydroxyphenyl)propan-1-one | CAS Registry Number: 610-99-1
Synonyms: o-Propiophenol, 2-Hydroxypropiophenone, 2-Propionylphenol, 2'-Hydroxypropiophenone, 2-(Propionyl)phenol, o-Hydroxypropiophenone, ortho-Hydroxypropiophenone, Propiophenone, 2'-hydroxy-, H55103_ALDRICH, 1-Propanone, 1-(2-hydroxyphenyl)-, STOCK4S-98770, NSC3785, 1-(2-hydroxyphenyl)propan-1-one, EINECS 210-244-1, ZINC00391093, AI3-11684, 1-(2-HYDROXYPHENYL)-PROPANONE (2-HYDROXY-PROPIOPHENONE), InChI=1/C9H10O2/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6,11H,2H2,1H

Molecular Formula:	C₉H₁₀O₂	Molecular Weight:	150.174500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: KDUWXMIHHIVXER-UHFFFAOYSA-N

• O-Tolidine Diisocyanate

IUPAC Name: 1-isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene | CAS Registry Number: 91-97-4
Synonyms: Nacconate 200, Bitolylene diisocyanate, Ditolyl isocyanate, CCRIS 8907, 4,4'-Diisocyanato-3,3'-bitolyl, 3,3'-Bitolylene-4,4'-diisocyanate, NSC 9599, EINECS 202-112-7, 3,3'-Dimethyl-4,4'-biphenylene diisocyanate, CID7072, NSC9599, 3,3'-Dimethylbiphenyl 4,4'-diisocyanate, 4,4'-Diisocyanato-3,3'-dimethylbiphenyl, WLN: OCNR B1 DR C1 DNCO, BRN 2743710, 3,3'-Dimethyl-4,4'-biphenylene isocyanate, 3,3'-Dimethyl-4,4'-diphenylene diisocyanate, 3,3'-Dimethyl-4,4'-biphenylylene diisocyanate, LS-44327, 3,3'-Dimethylbiphenyl-4,4'-diyl diisocyanate

Molecular Formula:	C₁₆H₁₂N₂O₂	Molecular Weight:	264.278680 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: ICLCCFKUSALICQ-UHFFFAOYSA-N

• Ortho Acetyl Pyrazine

IUPAC Name: 1-pyrazin-2-ylethanone | CAS Registry Number: 22047-25-2
Synonyms: Acetylpyrazine, 2-ACETYLPYRAZINE, Pyrazine der., 1-Pyrazinylethanone, Ethanone, 1-pyrazinyl-, Ketone, methyl pyrazinyl, Methyl pyrazinyl ketone, Ethanone, l-pyrazinyl-, Pyrazin-1-ylethan-1-one, FEMA No. 3126, 1-Pyrazin-2-ylethan-1-one, W312606_ALDRICH, 251801_ALDRICH, EINECS 244-753-5, NSC 72374, AIDS070645, AIDS-070645, NSC72374, SBB006738, ZINC00163730

Molecular Formula:	C₆H₆N₂O	Molecular Weight:	122.124640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: DBZAKQWXICEWNW-UHFFFAOYSA-N

• Ortho Methylpyrazine

IUPAC Name: 2-methylpyrazine | CAS Registry Number: 109-08-0
Synonyms: Methylpyrazine, Pyrazine, methyl-, 2-METHYLPYRAZINE, Pyrazine, 2-methyl-, 2-Methyl-1,4-diazine, FEMA No. 3309, CCRIS 2927, WLN: T6N DNJ B1, M75608_ALDRICH, W330906_ALDRICH, EINECS 203-645-8, NSC 30412, AIDS069645, AIDS-069645, NSC30412, NSC49138, ZINC01661081, AI3-36550, LS-2959, InChI=1/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H

Molecular Formula:	C₅H₆N₂	Molecular Weight:	94.114540 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: CAWHJQAVHZEVTJ-UHFFFAOYSA-N

• P-[3-[(hydroxymethyl)amino]-3-Oxopropyl]Phosphonic Acid Dimethyl Ester

IUPAC Name: 3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamide | CAS Registry Number: 20120-33-6
Synonyms: Pyrovatex CP, Spolapret OS, Pyrovatex 3805, EINECS 243-528-9, CID29959, N-Methylol dimethylphosphonopropionamide, LS-106643, Dimethyl (3-((hydroxymethyl)amino)-3-oxopropyl)phosphonate, Phosphonic acid, (2-((hydroxymethyl)carbamoyl)ethyl)-, dimethyl ester, Phosphonic acid, (3-((hydroxymethyl)amino)-3-oxopropyl)-, dimethyl ester, Phosphonic acid, P-(3-((hydroxymethyl)amino)-3-oxopropyl)-, dimethyl ester, 12687-97-7, 143477-26-3

Molecular Formula:	C₆H₁₄NO₅P	Molecular Weight:	211.152821 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: MCONGYNHPPCHSD-UHFFFAOYSA-N

• p-Fluoroaniline

IUPAC Name: 4-fluoroaniline | CAS Registry Number: 371-40-4
Synonyms: 4-FLUOROANILINE, 4-Fluoronaniline, p-Fluorophenylamine, Benzenamine, 4-fluoro-, 4-Fluorobenzenamine, para-Fluoroaniline, Aniline, p-fluoro-, 4-Fluoranilin, Aniline, 4-fluoro-, 1-Amino-4-fluorobenzene, 4-Fluoranilin [Czech], WLN: ZR DF, 4-FLUOROANILINE HCl, CCRIS 5059, F3800_ALDRICH, Aniline, p-fluoro- (8CI), HSDB 2691, NSC 579, NSC579, 46490_FLUKA

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

InChIKey: KRZCOLNOCZKSDF-UHFFFAOYSA-N

• P-Fluoronitrobenzene

IUPAC Name: 1-fluoro-4-nitrobenzene | CAS Registry Number: 350-46-9
Synonyms: p-Fluoronitrobenzene, 4-Fluoronitrobenzene, p-Nitrofluorobenzene, 4-Nitrofluorobenzene, Benzene, 1-fluoro-4-nitro-, 1-FLUORO-4-NITROBENZENE, 1-Nitro-4-fluorobenzene, 4-Fluoro-1-nitrobenzene, Ambap3154, 1,4-Fluoronitrobenzene, WLN: WNR DF, F11204_ALDRICH, HSDB 2735, 47170_FLUKA, EINECS 206-502-8, NSC 10281, NSC10281, ZINC01706157, LS-30358, TL8002611

Molecular Formula:	C₆H₄FNO₂	Molecular Weight:	141.099863 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: WFQDTOYDVUWQMS-UHFFFAOYSA-N

• P-Hydroxy Valerophenone

IUPAC Name: 1-(4-hydroxyphenyl)pentan-1-one | CAS Registry Number: 2589-71-1
Synonyms: p-Valerylphenol, 4-Valerylphenol, p-Hydroxyvalerophenone, 4'-Hydroxyvalerophenone, Valerophenone, 4'-hydroxy-, ChemDiv3_014404, 1-Pentanone, 1-(4-hydroxyphenyl)-, MLS000522198, 245143_ALDRICH, NSC49186, NSC49321, EINECS 219-978-7, NSC 49186, NSC 49321, ZINC01681257, IDI1_030202, SMR000132606, AI3-11694, ST5405539, EU-0033275

Molecular Formula:	C₁₁H₁₄O₂	Molecular Weight:	178.227660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ZKCJJGOOPOIZTE-UHFFFAOYSA-N

• P-Methylphenylhydrazine Hydrochloride

IUPAC Name: (4-methylphenyl)hydrazine hydrochloride | CAS Registry Number: 637-60-5
Synonyms: p-Tolylhydrazine hydrochloride, 4-Methylphenylhydrazine hydrochloride, WLN: ZMR D1 &GH, T40606_ALDRICH, p-Tolylhydrazinium(1+) chloride, NSC 2112, 90120_FLUKA, EINECS 211-295-2, HYDRAZINE, p-TOLYL-, HYDROCHLORIDE, NSC2112, Hydrazine, p-tolyl-, monohydrochloride, CID12504, BTB 07632, 4-Methylphenylhydrazine monohydrochloride, Hydrazine, (4-methylphenyl)-, monohydrochloride, LS-76980, Hydrazine, (4-methylphenyl)-, hyrochloride, TL8004480, Hydrazine, p-tolyl-, monohydrochloride (8CI), 35467-65-3

Molecular Formula:	C₇H₁₁ClN₂	Molecular Weight:	158.628640 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	2

InChIKey: HMHWNJGOHUYVMD-UHFFFAOYSA-N

• Para Dibromobutane

IUPAC Name: 1,4-dibromobutane | CAS Registry Number: 110-52-1
Synonyms: Tetramethylene dibromide, 1,4-DIBROMOBUTANE, Butane, 1,4-dibromo-, Tetramethylenebromide, 1,4-Dibrombutan, alpha,omega-Dibromobutane, 1,4-Dibrombutan [German], WLN: E4E, CCRIS 8917, NCIOpen2_003230, 140805_ALDRICH, EINECS 203-775-5, NSC 71435, NSC71435, BRN 1071199, AI3-14617, LS-45685, 4-01-00-00267 (Beilstein Handbook Reference), InChI=1/C4H8Br2/c5-3-1-2-4-6/h1-4H, DBB

Molecular Formula:	C₄H₈Br₂	Molecular Weight:	215.914320 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: ULTHEAFYOOPTTB-UHFFFAOYSA-N

• Pentaerythritol

IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol | CAS Registry Number: 115-77-5
Synonyms: PENTAERYTHRITOL, Pentaerythrite, Auxinutril, Maxinutril, Monopentek, Penetek, Pentek, Metab-Auxil, Hercules P6, Pentaerythrital, Tetramethylolmethane, Monopentaerythritol, Methane tetramethylol, Tetrahydroxymethylmethane, Tetrakis(hydroxymethyl)methane, CCRIS 2306, HSDB 872, P4755_ALDRICH, 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, WLN: Q1X1Q1Q1Q

Molecular Formula:	C₅H₁₂O₄	Molecular Weight:	136.146380 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: WXZMFSXDPGVJKK-UHFFFAOYSA-N

• Propiophenone

IUPAC Name: 1-phenylpropan-1-one | CAS Registry Number: 93-55-0
Synonyms: Phenetol, Propionylbenzene, Ethyl phenyl ketone, 1-Propanone, 1-phenyl-, 1-Phenyl-1-propanone, Ketone, ethyl phenyl, PHENYL ETHYL KETONE, USAF EK-1235, FEMA No. 3469, WLN: 2VR, P51605_ALDRICH, HSDB 1177, W346918_ALDRICH, 82050_FLUKA, EINECS 202-257-6, NSC 16937, NSC16937, BRN 0606215, ZINC01671385, AI3-00951

Molecular Formula:	C₉H₁₀O	Molecular Weight:	134.175100 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: KRIOVPPHQSLHCZ-UHFFFAOYSA-N

• Propyltriphenylphosphonium Bromide

IUPAC Name: tri(phenyl)-propylphosphanium | CAS Registry Number: 15912-75-1
Synonyms: Triphenylpropylphosphonium, 131563_ALDRICH, STOCK1S-53736, 82468_FLUKA, Propyltriphenylphosphonium bromide, Triphenylpropylphosphonium bromide, EINECS 240-056-5

Molecular Formula:	C₂₁H₂₂P+	Molecular Weight:	305.373141 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: MSXNDXIAUQJHNS-UHFFFAOYSA-N

• Salicylaldehyde

IUPAC Name: 2-hydroxybenzaldehyde | CAS Registry Number: 90-02-8
Synonyms: SALICYLALDEHYDE, Salicylal, o-Formylphenol, o-Hydroxybenzaldehyde, Salicyladehyde, 2-Formylphenol, 2-Hydroxybenzaldehyde, Salicylic aldehyde, Benzaldehyde, 2-hydroxy-, Salicylaldehyd, Salizylaldehyd, Benzaldehyde, o-hydroxy-, WLN: VHR BQ, S356_ALDRICH, FEMA No. 3004, CCRIS 7451, HSDB 721, 2-HYDROXY-BENZALDEHYDE, W300403_ALDRICH, 03273_FLUKA

Molecular Formula:	C₇H₆O₂	Molecular Weight:	122.121340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: SMQUZDBALVYZAC-UHFFFAOYSA-N

• Silica White (Silica Pigment)

IUPAC Name: silicic acid | CAS Registry Number: 1343-98-2
Synonyms: Monosilicic acid, Silicasol, Orthosilicic acid, Tetrahydroxysilane, silanetetrol, Kieselsaeure, Silica, colloidal, Orthokieselsaeure, Silicon tetrahydroxide, Silicic acid (ortho), tetrahydroxidosilicon, SILICIC ACID, Silicic acid (H4SiO4), H4SiO4, Silicic acid (Si(OH)4), [Si(OH)4], CHEBI:26675, EINECS 233-477-0, CID14942, c0577

Molecular Formula:	H₄O₄Si	Molecular Weight:	96.114860 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: RMAQACBXLXPBSY-UHFFFAOYSA-N

• Silicones Fluids

IUPAC Name: 2,4,6-trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,2,4,6-trioxatrisilinane | CAS Registry Number: 2374-14-3
Synonyms: Silicone fluid, Fluorosilicone trimer, Fluorosilicone cyclic trimer, B071 CUT II, EINECS 219-154-7, LS-58867, (3,3,3-Trifluoropropyl)methylsiloxane cyclic trimer, 1,3,5-Tris(trifluoropropyl)trimethylcyclotrisiloxane, Cyclotrisiloxane, 2,4,6-trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)-, 1,3,5-Trimethyl-1,3,5-tris(3,3,3-trifluoropropyl)cyclotrisiloxane, 1,3,5-Tris[(3,3,3-trifluoropropyl)methyl]cyclotrisiloxane, 2,4,6-Trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)cyclotrisiloxane

Molecular Formula:	C₁₂H₂₁F₉O₃Si₃	Molecular Weight:	468.535469 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	12

InChIKey: URZHQOCYXDNFGN-UHFFFAOYSA-N

• Sodium Hydro Phosphite

Synonyms: Fosfornan sodny [Czech], Sodium phosphinate hydrate, CID202262, Phosphinic acid, sodium salt, monohydrate, LS-106210, 10039-56-2

Molecular Formula:	H₂NaO₃P	Molecular Weight:	103.977611 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ACUGTEHQOFWBES-UHFFFAOYSA-M

• Sodium Hypophosphite

Synonyms: Fosfornan sodny [Czech], Sodium phosphinate hydrate, CID202262, Phosphinic acid, sodium salt, monohydrate, LS-106210, 7681-53-0

Molecular Formula:	H₂NaO₃P	Molecular Weight:	103.977611 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ACUGTEHQOFWBES-UHFFFAOYSA-M

• Tetrasodium Ethylene Diamine Tetraacetate

IUPAC Name: tetrasodium 2-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]acetate | CAS Registry Number: 64-02-8
Synonyms: Edetate sodium, Aquamollin, Complexone, Sequestrene, Tetracemin, Tyclarosol, Komplexon, Nullapon, Irgalon, Questex, Tetrine, Versene, Calsol, Distol, Ergon, Kalex, Sodium edetate, Versene powder, Natrii edetas, Versene beads

Molecular Formula:	C₁₀H₁₂N₂Na₄O₈	Molecular Weight:	380.169960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	10

InChIKey: UEUXEKPTXMALOB-UHFFFAOYSA-J

• Thymine

IUPAC Name: 5-methyl-1H-pyrimidine-2,4-dione | CAS Registry Number: 65-71-4
Synonyms: thymine, 5-methyluracil, Thymin, Thymine anhydrate, Thymin (purine base), Thymine-t, 5-Methyl Uracil, Thymine (VAN), (3H)Methylthymidine, Thymine (8CI), Thymine-2-14C, 2,4-Dihydroxy-5-methylpyrimidine, nchembio.108-comp2, Ambap7384, CCRIS 5584, 2,4(1H,3H)-Pyrimidinedione, 5-methyl-, Thymine (VAN) (8CI), NSC14705, T0376_SIGMA, T0895_SIGMA

Molecular Formula:	C₅H₆N₂O₂	Molecular Weight:	126.113340 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: RWQNBRDOKXIBIV-UHFFFAOYSA-N

• trans-Zeatin

IUPAC Name: (E)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol | CAS Registry Number: 1637-39-4
Synonyms: Zeatin, Zeatine, (E)-Zeatin, 2flh, trans-Zeatin hydrochloride, Ambap6239, trans-Zeatin-8-14C, t10c12 CLA, MLS001074742, Z0164_SIGMA, Z0876_SIGMA, Z1626_SIGMA, Z2753_SIGMA, N6-(4-Hydroxyisopentenyl)adenine, CHEBI:15333, CHEBI:16522, TNP00322, BRN 0616241, ZINC04492895, NCGC00017372-01

Molecular Formula:	C₁₀H₁₃N₅O	Molecular Weight:	219.243120 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: UZKQTCBAMSWPJD-FARCUNLSSA-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

• Valerophenone

IUPAC Name: 1-phenylpentan-1-one | CAS Registry Number: 1009-14-9
Synonyms: Butyl phenyl ketone, Pentanophenone, 1-Phenyl-1-pentanone, 1-Pentanone, 1-phenyl-, 1-phenylpentan-1-one, V659_ALDRICH, CHEBI:36812, NSC58959, EINECS 213-767-3, NSC 58959, ZINC01589684, AI3-09309, ST5406237

Molecular Formula:	C₁₁H₁₄O	Molecular Weight:	162.228260 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: XKGLSKVNOSHTAD-UHFFFAOYSA-N

• Vinylbenzyl Chloride

IUPAC Name: 1-(chloromethyl)-4-ethenylbenzene | CAS Registry Number: 1592-20-7
Synonyms: Vinylbenzyl chloride, (Chloromethyl)styrene, 4-Chloromethylstyrene, 4-(Chloromethyl)styrene, 4-Vinylbenzyl chloride, Styrene, p-(chloromethyl)-, Toluene, .alpha.-chlorovinyl-, 338729_ALDRICH, 436887_ALDRICH, Benzene, (chloromethyl)ethenyl-, 94907_FLUKA, 94908_FLUKA, 1-(Chloromethyl)-4-vinylbenzene, Benzene, 1-(chloromethyl)-4-ethenyl-, EINECS 216-471-2, TL8001205

Molecular Formula:	C₉H₉Cl	Molecular Weight:	152.620760 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: ZRZHXNCATOYMJH-UHFFFAOYSA-N

• Vitamin K3

IUPAC Name: 2-methylnaphthalene-1,4-dione | CAS Registry Number: 58-27-5
Synonyms: menadione, Thyloquinone, Kayquinone, Menaphthone, Kappaxin, Klottone, Panosine, Kayklot, Kolklot, Kanone, Kipca, menaquinone, Menaphthon, Prokayvit, Aquinone, Kaergona, Kappaxan, Menadion, Mitenone, Aquakay

Molecular Formula:	C₁₁H₈O₂	Molecular Weight:	172.180020 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: MJVAVZPDRWSRRC-UHFFFAOYSA-N

• Zirconium Tetrachloride

IUPAC Name: tetrachlorozirconium | CAS Registry Number: 10026-11-6
Synonyms: Zirconium chloride, Tetrachlorozirconium, Zirconium(IV) chloride, ZrCl4, Zirconium chloride, tetra-, ZIRCONIUM TETRACHLORIDE, Zirconium chloride (ZrCl4), Zirconium chloride, (T-4)-, zirconium(4+) tetrachloride, HSDB 2531, Zirconium(IV) chloride (1:4), 221880_ALDRICH, 357405_ALDRICH, 647640_ALDRICH, EINECS 233-058-2, UN2503, Zirconium chloride (ZrCl4), (T-4)-, LS-162910, Zirconium tetrachloride [UN2503] [Corrosive], Zirconium tetrachloride [UN2503] [Corrosive]

Molecular Formula:	Cl₄Zr	Molecular Weight:	233.036000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: DUNKXUFBGCUVQW-UHFFFAOYSA-J

• 2-Amino-4,6-Dichloro Pyrimidine

IUPAC Name: 4,6-dichloropyrimidin-2-amine | CAS Registry Number: 56-05-3
Synonyms: 2-Amino-4,6-dichloropyrimidine, Py 11, 2-Pyrimidinamine, 4,6-dichloro-, CCRIS 7460, 4,6-Dichloro-2-pyrimidinamine, A48601_ALDRICH, 4,6-Dichloropyrimidin-2-ylamine, Pyrimidine, 2-amino-4,6-dichloro-, 07686_FLUKA, EINECS 200-253-9, NSC 18698, AIDS020791, AIDS-020791, NSC18698, BRN 0118454, SBB003919, ZINC01081248, AI3-52142, LS-134474, Pyrimidine, 2-amino-4,6-dichloro- (8CI)

Molecular Formula:	C₄H₃Cl₂N₃	Molecular Weight:	163.992720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: JPZOAVGMSDSWSW-UHFFFAOYSA-N

• 2-Ethyl Chloro-Propionate

IUPAC Name: ethyl 2-chloropropanoate | CAS Registry Number: 535-13-7
Synonyms: Ethyl 2-chloropropionate, Ethyl 2-chloropropanoate, Ethyl .alpha.-chloropropionate, 192414_ALDRICH, Propanoic acid, 2-chloro-, ethyl ester, 2-Chloropropionic acid, ethyl ester, Propionic acid, 2-chloro-, ethyl ester, AIDS017657, ETHYL ALPHA-CHLOROPROPIONATE, AIDS-017657, EINECS 208-610-0, NSC522671, UN2935, NSC 522671, alpha -chloropropionic acid, ethyl ester, AI3-39182, ST5409191, Propionic acid, 2-chloro-, ethyl ester (8CI), Ethyl 2-chloropropionate [UN2935] [Flammable liquid], 105309-19-1

Molecular Formula:	C₅H₉ClO₂	Molecular Weight:	136.576760 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: JEAVBVKAYUCPAQ-UHFFFAOYSA-N

• 3-Methylindole

IUPAC Name: 3-methyl-1H-indole | CAS Registry Number: 83-34-1
Synonyms: Skatole, Scatole, Skatol, 3-METHYLINDOLE, 3-Methyl-1H-indole, beta-Methylindole, Indole, 3-methyl-, 1H-Indole, 3-methyl-, 3 Methylindole, 3-methylindoline, methyl-3-indole, .beta.-Methylindole, 3-Methyl-4,5-benzopyrrole, 3-MI, FEMA No. 3019, CCRIS 8961, M51458_ALDRICH, HSDB 3511, MLS001332537, MLS001332538

Molecular Formula:	C₉H₉N	Molecular Weight:	131.174460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: ZFRKQXVRDFCRJG-UHFFFAOYSA-N

• 4,4-Diamino Diphenyl Methane

IUPAC Name: 4-[(4-aminophenyl)methyl]aniline | CAS Registry Number: 101-77-9
Synonyms: Dadpm, Dianilinomethane, Methylenedianiline, Tonox, Dianilinemethane, Curithane, 4,4'-Methylenedianiline, Epicure DDM, Epikure DDM, Sumicure M, Ancamine TL, Jeffamine AP-20, p,p'-Methylenedianiline, Diaminodiphenylmethane, Methylenebis(aniline), Bis(p-aminophenyl)methane, DAPM, Avaldite HT 972, Bis(4-aminophenyl)methane, p,p'-Diaminodiphenylmethane

Molecular Formula:	C₁₃H₁₄N₂	Molecular Weight:	198.263660 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: YBRVSVVVWCFQMG-UHFFFAOYSA-N

• 4-Hydroxypropiophenone

IUPAC Name: 1-(4-hydroxyphenyl)propan-1-one | CAS Registry Number: 70-70-2
Synonyms: Paroxypropione, Paroxypropion, Proxiphenon, Frenantol, Frenohypon, Frenormon, Hypophenon, Possipione, Profenone, Sterofenon, Hypostat, Ibiopopp, Paroxon, Frenon, Mepal, p-Propiophenol, Bio-fren, p-Propionylphenol, p-Oxypropiophenone, 4-Propionylphenol

Molecular Formula:	C₉H₁₀O₂	Molecular Weight:	150.174500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: RARSHUDCJQSEFJ-UHFFFAOYSA-N

• 2,2-Dibromo-2-Cyanoacetamide

IUPAC Name: 2,2-dibromo-2-cyanoacetamide | CAS Registry Number: 10222-01-2
Synonyms: Dbnpa, Dibromocyanoacetamide, XD-7287l Antimicrobial, Caswell No. 287AA, NCIOpen2_006184, 2,2-Dibromo-3-nitrilopropionamide, 2,2-DIBROMO-2-CYANOACETAMIDE, Acetamide, 2,2-dibromo-2-cyano-, HSDB 6982, Dibromocyano acetic acid amide, 2,2-Dibromo-2-carbamoylacetonitrile, 540978_ALDRICH, Acetamide, 2-cyano-2,2-dibromo-, XD 7287L, EINECS 233-539-7, XD-1603, NSC 98283, EPA Pesticide Chemical Code 101801, CID25059, NSC98283

Molecular Formula:	C₃H₂Br₂N₂O	Molecular Weight:	241.868780 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: UUIVKBHZENILKB-UHFFFAOYSA-N

• 2-Methylindole

IUPAC Name: 2-methyl-1H-indole | CAS Registry Number: 95-20-5
Synonyms: 2-METHYLINDOLE, 2-Methyl-1H-indole, Indole, 2-methyl-, 1H-Indole, 2-methyl-, M51407_ALDRICH, Indole, 2-methyl- (8CI), ARONIS020142, NSC 7514, EINECS 202-398-3, NSC7514, ZINC01088076, AI3-03945, LS-83246, LS-83247, ST040425, TL8005985, M-3895, InChI=1/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H, 2MI

Molecular Formula:	C₉H₉N	Molecular Weight:	131.174460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: BHNHHSOHWZKFOX-UHFFFAOYSA-N

• 3,4-Difluoronitrobenzene

IUPAC Name: 1,2-difluoro-4-nitrobenzene | CAS Registry Number: 369-34-6
Synonyms: 1,2-Difluoro-4-nitrobenzene, Ambap1719, Benzene, 1,2-difluoro-4-nitro-, 288365_ALDRICH, EINECS 206-718-2, BRN 1944996, ZINC00152925, D129, LS-29842, TL8002726, 4-05-00-00720 (Beilstein Handbook Reference)

Molecular Formula:	C₆H₃F₂NO₂	Molecular Weight:	159.090326 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: RUBQQRMAWLSCCJ-UHFFFAOYSA-N

• 3,5-Dinitrobenzoic Acid

IUPAC Name: 3,5-dinitrobenzoic acid | CAS Registry Number: 99-34-3
Synonyms: Dinitrobenzoic acid, DNBA, 3,5-DINITROBENZOIC ACID, Benzoic acid, 3,5-dinitro-, 3-Carboxy-1,5-dinitrobenzene, CCRIS 3129, NCIOpen2_008996, 121258_ALDRICH, NSC 8732, EINECS 202-751-1, CID7433, NSC8732, SBB007840, AI3-01801, LS-37275, TL806408, ST5308043, BENZOIC ACID,3,5-DINITRO MFC7 H4 N2 O6, 57542-56-0, 64582-71-4

Molecular Formula:	C₇H₄N₂O₆	Molecular Weight:	212.116460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: VYWYYJYRVSBHJQ-UHFFFAOYSA-N

• 5-Nitroindole

IUPAC Name: 5-nitro-1H-indole | CAS Registry Number: 6146-52-7
Synonyms: 5-Nitro-1H-indole, 1H-Indole, 5-nitro-, INDOLE, 5-NITRO-, CCRIS 3255, Oprea1_492280, N17602_ALDRICH, EINECS 228-153-0, 1H-Indole, 5-nitro- (9CI), NSC520594, ZINC00105247, LS-83315, SB 01605, ST5406179, TL8003894, N-3000

Molecular Formula:	C₈H₆N₂O₂	Molecular Weight:	162.145440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: OZFPSOBLQZPIAV-UHFFFAOYSA-N

• 6-Ethoxy-2,2,4-Trimethyl-1,2-Dihydroquinoline

IUPAC Name: 6-ethoxy-2,2,4-trimethyl-1H-quinoline | CAS Registry Number: 91-53-2
Synonyms: ethoxyquin, Santoquin, Ethoxyquine, Santoquine, Niflex, Antioxidant EC, Santoflex A, Santoflex AW, Stop-Scald, Dawe's nutrigard, Nix-Scald, Nocrack AW, Quinol ED, Aries Antox, Niflex D, Antage AW, Nocrac AW, Permanax 103, Alterungsschutzmittel EC, Ethoxyquin [ISO]

Molecular Formula:	C₁₄H₁₉NO	Molecular Weight:	217.306760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: DECIPOUIJURFOJ-UHFFFAOYSA-N

• 2-Acetylthiazole

IUPAC Name: 1-(1,3-thiazol-2-yl)ethanone | CAS Registry Number: 24295-03-2
Synonyms: 1-thiazol-2-yl-ethanone, Ethanone, 1-(2-thiazolyl)-, W332801_ALDRICH, 288411_ALDRICH, 1-(1,3-Thiazol-2-yl)ethanone, ZINC00164484, 3,3'-DICARBOXYDIPHENYLMETHANE, NCGC00091718-01, SB 00889

Molecular Formula:	C₅H₅NOS	Molecular Weight:	127.164300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: MOMFXATYAINJML-UHFFFAOYSA-N

• 2-Amino-4,6-dimethylpyrimidine

IUPAC Name: 4,6-dimethylpyrimidin-2-amine | CAS Registry Number: 767-15-7
Synonyms: Acetylacetoneguanidine, 4,6-Dimethyl-2-pyrimidinamine, 2-Pyrimidinamine, 4,6-dimethyl-, 2-AMINO-4,6-DIMETHYLPYRIMIDINE, 4,6-Dimethylpyrimidin-2-ylamine, Pyrimidine, 2-amino-4,6-dimethyl-, A52005_ALDRICH, ACETYLACETONE GUANIDINE, NSC 3278, 07850_FLUKA, EINECS 212-181-5, NSC3278, AIDS020788, AIDS-020788, SBB004275, ZINC00163774, AI3-08092, LS-134481, TL8005260, Pyrimidine, 2-amino-4,6-dimethyl- (8CI)

Molecular Formula:	C₆H₉N₃	Molecular Weight:	123.155760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: IDQNBVFPZMCDDN-UHFFFAOYSA-N

• 2-Ethyl-4-Methylthiazole

IUPAC Name: 2-ethyl-4-methyl-1,3-thiazole | CAS Registry Number: 15679-12-6
Synonyms: Thiazole, 2-ethyl-4-methyl-, 2-ETHYL-4-METHYLTHIAZOLE, W368008_ALDRICH, FEMA No. 3680, EINECS 239-757-9, ZINC00396075, InChI=1/C6H9NS/c1-3-6-7-5(2)4-8-6/h4H,3H2,1-2H

Molecular Formula:	C₆H₉NS	Molecular Weight:	127.207360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: VGRVKVGGUPOCMT-UHFFFAOYSA-N

• 3-Fluoro Nitro Benzene

IUPAC Name: 1-fluoro-3-nitrobenzene | CAS Registry Number: 402-67-5
Synonyms: m-Fluoronitrobenzene, m-Nitrofluorobenzene, 3-Fluoronitrobenzene, Benzene, 1-fluoro-3-nitro-, 1-FLUORO-3-NITROBENZENE, 128392_ALDRICH, 47160_FLUKA, NSC60651, EINECS 206-953-0, NSC 60651, ZINC01690401, TL8002925, Benzene, 1-fluoro-3-nitro- (8CI)(9CI), InChI=1/C6H4FNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4

Molecular Formula:	C₆H₄FNO₂	Molecular Weight:	141.099863 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: WMASLRCNNKMRFP-UHFFFAOYSA-N

• (S)-Benzyloxymethyl-oxirane

IUPAC Name: (2S)-2-(phenylmethoxymethyl)oxirane | CAS Registry Number: 16495-13-9
Synonyms: (S)-O-Benzylglycidol, (S)-Benzyl glycidyl ether, (+)-Benzyl glycidyl ether, (S)-(Benzyloxymethyl)oxirane, (+)-(Benzyloxymethyl)oxirane, CCRIS 6386, 363537_ALDRICH, ()-Benzyl (S)-glycidyl ether, (R)-1-(Benzyloxy)-2,3-epoxypropane, (S)-()-2-(Benzyloxymethyl)oxirane, ZINC02170166, NCGC00166091-01, Propane, 1-(benzyloxy)-2,3-epoxy-, (R)-, Oxirane, ((phenylmethoxy)methyl)-, (S)-, LS-119620, Propane, 1-(benzyloxy)-2,3-epoxy-, (S)-, Oxirane, ((phenylmethoxy)methyl)-, (S)- (9CI), Propane, 1-(benzyloxy)-2,3-epoxy-, (S)- (8CI)

Molecular Formula:	C₁₀H₁₂O₂	Molecular Weight:	164.201080 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: QNYBOILAKBSWFG-SNVBAGLBSA-N

• (S)-2-Chloropropionic acid

IUPAC Name: (2S)-2-chloropropanoic acid | CAS Registry Number: 29617-66-1
Synonyms: (2S)-Chloropropanoic acid, L-2-Chloropropanoic acid, L-2-Chloropropionic acid, alpha-L-Chloropropionic acid, (S)-2-Chloropropanoic acid, 2S-chloropropanoic acid, 2(S)-Chloropropionic acid, beta-Chloropropionic acid, 2(S)-Chloropropionic ac, Propanoic acid, 2-chloro-, L-alpha-Chloropropionic acid, (-)-2-Chloropropanoic acid, (-)-2-Chloropropionic acid, 2-CHLOROPROPANOIC ACID, Propanoic acid, 2-chloro-, (S)-, Propionic acid, 2-chloro-, L-, 306797_ALDRICH, LMFA01090032, Propionic acid, 2-chloro-, L- (8CI), SB 01780

Molecular Formula:	C₃H₅ClO₂	Molecular Weight:	108.523600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: GAWAYYRQGQZKCR-REOHCLBHSA-N

• 15-Crown-5

IUPAC Name: 3,6,9,12,15-pentaoxacyclopentadecane | CAS Registry Number: 33100-27-5
Synonyms: Lead ionophore V, 15-Crown-5 ether, CCRIS 3586, 188832_ALDRICH, 1,4,7,10,13-PENTAOXACYCLOPENTADECANE, CHEBI:32401, EINECS 251-379-6, 1,4,10,13-Pentaoxacyclopentadecane, BRN 1618144, ZINC03861363, ST023794, LS-102014, 5-19-12-00252 (Beilstein Handbook Reference), 168081-57-0

Molecular Formula:	C₁₀H₂₀O₅	Molecular Weight:	220.262800 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: VFTFKUDGYRBSAL-UHFFFAOYSA-N

• 3-Indole Carboxaldehyde

IUPAC Name: 1H-indole-3-carbaldehyde | CAS Registry Number: 487-89-8
Synonyms: Indole-3-aldehyde, 3-Formylindole, Indole-3-carbaldehyde, INDOLE-3-CARBOXALDEHYDE, 1H-Indole-3-carboxaldehyde, 3-indolemethanal, 3-Indolealdehyde, beta-Indolylaldehyde, Indol-3-carboxaldehyde, 3-Indolecarboxaldehyde, 3-Indolecarbaldehyde, .beta.-Indolylaldehyde, 1H-Indole-3-carbaldehyde, INDOLE-3-CARBOXYALDEHYDE, 129445_ALDRICH, EINECS 207-665-8, NSC 10118, AIDS019632, AIDS-019632, NSC10118

Molecular Formula:	C₉H₇NO	Molecular Weight:	145.157980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: OLNJUISKUQQNIM-UHFFFAOYSA-N

• 4-(2-Pyridinyl)-benzaldehyde

IUPAC Name: 4-pyridin-2-ylbenzaldehyde | CAS Registry Number: 127406-56-8
Synonyms: 4-(2-Pyridyl)benzaldehyde, 489387_ALDRICH, 572411_ALDRICH, ZINC01437366, 4PNL-P02-0, CID1515240, CC 41504, TL8000678, InChI=1/C12H9NO/c14-9-10-4-6-11(7-5-10)12-3-1-2-8-13-12/h1-9

Molecular Formula:	C₁₂H₉NO	Molecular Weight:	183.205960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: NMLYGLCBSFKJFI-UHFFFAOYSA-N

• 1-(4-Propylphenyl)ethanone

IUPAC Name: 1-(4-propylphenyl)ethanone | CAS Registry Number: 2932-65-2
Synonyms: p-Propylacetophenone, 4-n-Propylacetophenone, 1-(4-Propylphenyl)ethan-1-one, Ethanone, 1-(4-propylphenyl)-, EINECS 220-903-5, NSC172873, SBB007807, ZINC01697713, FR-0376

Molecular Formula:	C₁₁H₁₄O	Molecular Weight:	162.228260 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ZNBVIYMIVFKTIW-UHFFFAOYSA-N

• 2,6-Dihydroxynaphthalene

IUPAC Name: naphthalene-2,6-diol | CAS Registry Number: 581-43-1
Synonyms: 2,6-Naphthalenediol, Naphthalene-2,6-diol, 2-Hydroxy-6-naphthol, 2,6-Naphthohydroquinone, 275603_ALDRICH, NSC62687, 37765_FLUKA, CID93552, EINECS 209-465-6, NSC 62687, SBB000129, ZINC00074155, C.I. 76640, InChI=1/C10H8O2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-6,11-12

Molecular Formula:	C₁₀H₈O₂	Molecular Weight:	160.169320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: MNZMMCVIXORAQL-UHFFFAOYSA-N

• 1,2-Dimethylindole

IUPAC Name: 1,2-dimethylindole | CAS Registry Number: 875-79-6
Synonyms: Indole, 1,2-dimethyl-, N-Methyl-2-methylindole, 1,2-DIMETHYLINDOLE, 1,2-Dimethyl-1H-indole, 1H-Indole, 1,2-dimethyl-, D165603_ALDRICH, Indole, 1,2-dimethyl- (8CI), NSC62087, EINECS 212-877-9, NSC 62087, STK301478, ZINC01081266, 1H-Indole, 1,2-dimethyl- (9CI), D-5348, InChI=1/C10H11N/c1-8-7-9-5-3-4-6-10(9)11(8)2/h3-7H,1-2H

Molecular Formula:	C₁₀H₁₁N	Molecular Weight:	145.201040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: BJMUOUXGBFNLSN-UHFFFAOYSA-N