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• Fluthiacet-methyl
IUPAC Name: methyl 2-[2-chloro-4-fluoro-5-[(3-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]sulfanylacetate | CAS Registry Number: 117337-19-6
Synonyms: Action, Fluthiacet methyl, Fluthiacet-methyl [ISO], HSDB 7270, KIH 9201, CGA 248757, CID93542, NCGC00168312-01, LS-11292, C10908, Acetic acid, ((2-chloro-4-fluoro-5-((tetrahydro-3-oxo-1H,3H-(1,3,4)thiadiazolo(3,4-a)pyridazin-1-ylidene)amino)phenyl)thio)-, methyl ester, methyl [(2-chloro-4-fluoro-5-{[(1Z)-3-oxotetrahydro[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene]amino}phenyl)thio]acetate

Molecular Formula: C15H15ClFN3O3S2Molecular Weight: 403.879303 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: ZCNQYNHDVRPZIH-UHFFFAOYSA-N

• Foramsulfuron
IUPAC Name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-formamido-N,N-dimethylbenzamide | CAS Registry Number: 173159-57-4
Synonyms: 33977_RIEDEL, 33977_FLUKA, MolPort-003-930-494, CID11419598, NCGC00168314-01, 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-formamido-N,N-dimethyl-benzamide, 2-[3-(4,6-Dimethoxy-2-pyrimidinyl)ureidosulfonyl]-4-(formamido)-N,N-dimethylbenzamide, 2-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]amino}sulfonyl)-4-formamido-N,N-dimethylbenzamide

Molecular Formula: C17H20N6O7SMolecular Weight: 452.441700 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: PXDNXJSDGQBLKS-UHFFFAOYSA-N

• Forchlorfenuron
IUPAC Name: 1-(2-chloropyridin-4-yl)-3-phenylurea | CAS Registry Number: 68157-60-8
Synonyms: CPPU, Forchlorfenuron [ISO], 4PU30 cpd, 4-CPPU, C2791_SIGMA, N-(2-Chloro-4-pyridyl)-N'-phenylurea, CID93379, CPD-5481, 1-(2-chloropyridin-4-yl)-3-phenylurea, NCGC00164383-01, NCGC00164383-02, N-(2-Chloro-4-pyridinyl)-N'-phenylurea, Urea, N-(2-chloro-4-pyridinyl)-N'-phenyl-, LS-159608

Molecular Formula: C12H10ClN3OMolecular Weight: 247.680300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: GPXLRLUVLMHHIK-UHFFFAOYSA-N

• Gramoxone
IUPAC Name: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium | CAS Registry Number: 4685-14-7
Synonyms: PARAQUAT, Paraquat ion, Dextrone, Starfire, Weedol, Dimethyl viologen, Paraquat dication, Spraytop-graze, Dextrone X, Methyl viologen, Methyl viologen ion(2+), Methyl viologen (2+), nchembio820-comp7, 1,1'-Dimethyl-4,4'-bipyridinium, CCRIS 7731, Paraquat [ANSI:BSI:ISO], ChemDiv3_000231, HSDB 1668, NCIMech_000502, NCIOpen2_005422

Molecular Formula: C12H14N2+2Molecular Weight: 186.252960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: INFDPOAKFNIJBF-UHFFFAOYSA-N

• Gramoxone Herbicide
Synonyms: Aquacide, Dextrone, Preeglone, Deiquat, Detrone, Reglone, Reglon, Reglox, Ortho-Diquat, Weedtrine-D, DIQUAT, DIQUAT DIBROMIDE, Caswell No. 402, Reglon dibromide (USSR), Deiquat dibromide (USSR), Ethylene dipyridylium dibromide, HSDB 1700, EINECS 201-579-4, CID6794, PP 100

Molecular Formula: C12H12Br2N2Molecular Weight: 344.045080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ODPOAESBSUKMHD-UHFFFAOYSA-L

• Halosulfuron Methyl
IUPAC Name: methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate | CAS Registry Number: 100784-20-1
Synonyms: Battalion, Inpool, Manage, Permit, Sandea, Sempra, Halosulfuron-methyl, Permit 75WG, C.I. Natural Brown 3, Halosulfuron-methyl [ISO:BSI], MON 12000, MON 12037, NC 311, NC 319, CID91763, ZINC02381596, NCGC00163811-01, NCGC00163811-02, LS-128287, A 841101

Molecular Formula: C13H15ClN6O7SMolecular Weight: 434.812200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: FMGZEUWROYGLAY-UHFFFAOYSA-N

• Haloxyfop-r-Methyl
IUPAC Name: methyl (2R)-2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate | CAS Registry Number: 72619-32-0
Synonyms: Haloxyfop-P-methyl, Haloxyfop P-methyl solution, (R)-Methyl 2-(4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenoxy)propanoate, (R)-2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propanoic acid methyl ester, Eloge, Gallant Super, Zellek Super, SureCN54814, Haloxyfop-P-methyl [ISO], (R)-Haloxyfop methyl ester, 34043_RIEDEL, 34043_FLUKA, CTK8B8496, ANW-60458, DE 535, ZINC00900721, AKOS015895898, AK100037, H181, ST51053035

Molecular Formula: C16H13ClF3NO4Molecular Weight: 375.726930 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: MFSWTRQUCLNFOM-SECBINFHSA-N

• Halquinol
IUPAC Name: 5-chloroquinolin-8-ol; 7-chloroquinolin-8-ol; 5,7-dichloroquinolin-8-ol | CAS Registry Number: 8067-69-4
Synonyms: Quinolor, Tarquinor, HALQUINOLS, Halquinols [USAN], AIDS106809, AIDS-106809, CID24690, SQ 16,401, 5,7-Dichloro-8-quinolino & 5-chloro-8-quinolino & 7-chloro-8-quinnolinol, 5,7-Dichloro-8-quinolinol mixt. with 5-chloro-8-quinolinol and 7-chloro-8-quinolinol, 8-Quinolinol, 5,7-dichloro-, mixt. with 5-chloro-8-quinolinol and 7-chloro-8-quinolinol, 5,7-Dichloro-8-quinolinol, 5-chloro-8-quinolinol, and 7-chloro-8-quinolinol in proportions resulting naturally from chlorination of 8-quinolinol, 8021-96-3

Molecular Formula: C27H17Cl4N3O3Molecular Weight: 573.254180 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: XCQBENAYFZFNAR-UHFFFAOYSA-N

• HALS-622LD
IUPAC Name: butanedioic acid; 1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol | CAS Registry Number: 70198-29-7
Synonyms: CID172473, Butanedioic acid, polymer with 4-hydroxy-2,2,6,6-tetramethyl-1-piperidineethanol, 1-(2-Hydroxyethyl)-2,2,6,6-tetramethyl-4-hydroxypiperidine, succinic acid polymer, 182071-76-7, 71990-59-5, 76633-20-0

Molecular Formula: C15H29NO6Molecular Weight: 319.393860 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: OFFHCUWJGDPERE-UHFFFAOYSA-N

• Hedione
IUPAC Name: methyl 2-(3-oxo-2-pentylcyclopentyl)acetate | CAS Registry Number: 24851-98-7
Synonyms: Methyl dihydrojasmonate, Kharismal, trans-(-)-Hedione, Spectrum_001583, Hedione(R) (Firmenich), Spectrum2_000558, Spectrum3_001924, Spectrum4_001758, Spectrum5_000616, (-)-Methyl dihydrojasmonate, Methyl trans-dihydrojasmonate, BSPBio_003524, KBioGR_002236, KBioSS_002063, SPECTRUM1504910, W340804_ALDRICH, SPBio_000635, FEMA No. 3408, Dihydrojasmonic acid methyl ester, KBio2_002063

Molecular Formula: C13H22O3Molecular Weight: 226.311980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: KVWWIYGFBYDJQC-UHFFFAOYSA-N

• Hexachloroethane
IUPAC Name: 1,1,1,2,2,2-hexachloroethane | CAS Registry Number: 67-72-1
Synonyms: Perchloroethane, Avlothane, HEXACHLOROETHANE, Ethane, hexachloro-, Fasciolin, Mottenhexe, Distokal, Distopan, Distopin, Falkitol, Phenohep, Egitol, Hexachlorethane, Carbon hexachloride, Hexachloroethylene, Ethylene hexachloride, Ethane hexachloride, Hexachloraethan, Hexachlorethan, p henohep

Molecular Formula: C2Cl6Molecular Weight: 236.739400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: VHHHONWQHHHLTI-UHFFFAOYSA-N

• Hexarhodium Hexadecacarbonyl
IUPAC Name: carbon monoxide;rhodium | CAS Registry Number: 28407-51-4
Synonyms: Rhodium(0) carbonyl, Hexarhodium(0) hexadecacarbonyl, Hexarhodium hexadecacarbonyl, 247650_ALDRICH, RL02967, FT-0688491

Molecular Formula: C16O16Rh6Molecular Weight: 1065.594600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 16

InChIKey: SZQABOJVTZVBHE-UHFFFAOYSA-N

• Hexyltriethoxysilane
IUPAC Name: triethoxy(hexyl)silane | CAS Registry Number: 18166-37-5
Synonyms: triethoxy(hexyl)silane, Triethoxyhexylsilane, ACMC-209ei3, AC1NB479, MolPort-003-913-458, ANW-23065, AKOS015839662, AG-E-31618, MCULE-9539747184, AK122129, FT-0604975, H1158, ST50410399, I14-106921, Triethoxyhexylsilane;AZ 6171;Epokuriito SA;Hexyltriethoxysilane;KBE 3063;KBG 3063;LS 4808;

Molecular Formula: C12H28O3SiMolecular Weight: 248.434420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WUMSTCDLAYQDNO-UHFFFAOYSA-N

• Ilaprazole
IUPAC Name: 2-[(4-methoxy-3-methylpyridin-2-yl)methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole | CAS Registry Number: 172152-36-2
Synonyms: Aldenon, Ilaprazole [INN], UNII-776Q6XX45J, CID214351, Iy 81149, IY-81149, 2-((RS)-((4-Methoxy-3-methylpyridin-2-yl)methyl)sulfinyl)-5-(1H-pyrrol-1-yl)-1H-benzimidazole

Molecular Formula: C19H18N4O2SMolecular Weight: 366.436820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HRRXCXABAPSOCP-UHFFFAOYSA-N

• Imatinib Mesylate
IUPAC Name: methanesulfonic acid; 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide | CAS Registry Number: 220127-57-1
Synonyms: Imatinib mesylate, Gleevec, Glivec, Imatinib mesilate, Gleevac, Gleevec (TN), Glivec (TN), Imatinib Methansulfonate, imatinib methanesulfonate, Imatinib mesilate (JAN), sti-571, HSDB 7142, MLS001401456, STI571, CHEBI:31690, STI 571, CGP 57148B, GGP-57148B, CGP 53715, CGP-57148

Molecular Formula: C30H35N7O4SMolecular Weight: 589.708400 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 10

InChIKey: YLMAHDNUQAMNNX-UHFFFAOYSA-N

• Imazamox
IUPAC Name: 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid | CAS Registry Number: 114311-32-9
Synonyms: Pulsar, Raptor, Imazamox [ISO], Raptor (herbicide), (+-)-Imazamox, HSDB 7013, CID86137, AC 299263, CL 299263, EINECS Annex I Index 613-208-00-7, NCGC00163955-01, NCGC00163955-02, LS-184279, 5-Methoxymethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid, 2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-(methoxymethyl)-3-pyridinecarboxylic acid, 3-Pyridinecarboxylic acid, 2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-(methoxymethyl)-, 182636-13-1, 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-(methoxymethyl)nicotinic acid

Molecular Formula: C15H19N3O4Molecular Weight: 305.329060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: NUPJIGQFXCQJBK-UHFFFAOYSA-N

• Imazapyr
IUPAC Name: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid | CAS Registry Number: 81334-34-1
Synonyms: Arsenal, Chopper, Arsenal 250A, (+-)-Imazapyr, Caswell No. 003F, Imazapyr [ANSI:BSI:ISO], ChemDiv3_000415, PS2016_SUPELCO, CBDivE_005644, HSDB 6676, 37877_RIEDEL, CCRIS 8873, IFLab1_000189, AIDS179825, BB_SC-4059, EPA Pesticide Chemical Code 128821, AIDS-179825, CID54738, BRN 5442754, IDI1_008408

Molecular Formula: C13H15N3O3Molecular Weight: 261.276500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: CLQMBPJKHLGMQK-UHFFFAOYSA-N

• Imazaquin
IUPAC Name: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid | CAS Registry Number: 81335-37-7
Synonyms: IMAZAQUIN, Scepter Herbicide, Caswell No. 003C, Imazaquin [BSI:ISO], Imazaquine [ISO-French], PS2053_SUPELCO, HSDB 6677, MLS000080369, 37878_RIEDEL, AIDS179823, BB_SC-4058, EPA Pesticide Chemical Code 128840, AIDS-179823, CID54739, BRN 5450078, AC 252214, NCGC00163758-01, NCGC00163758-02, SMR000059314, LS-141617

Molecular Formula: C17H17N3O3Molecular Weight: 311.335180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: CABMTIJINOIHOD-UHFFFAOYSA-N

• Imazethapyr
IUPAC Name: 5,6-bis(4-methoxyphenyl)-2,3-diphenylthieno[3,2-b]furan | CAS Registry Number: 81385-77-5
Synonyms: AG-H-26874, 5,6-Bis(4-methoxyphenyl)-2,3-diphenylthieno[3,2-b]furan, 5,6-BIS(4-METHOXYPHENYL)-2,3-DIPHENYL-THIENO[3,2-B]FURAN, AGN-PC-00KH3B, CTK5E8751, KB-196275, A840117, Thieno[3,2-b]furan,5,6-bis(4-methoxyphenyl)-2,3-diphenyl-

Molecular Formula: C32H24O3SMolecular Weight: 488.596160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: LBJMFIDRSJIPEE-UHFFFAOYSA-N

• Imazosulfuron
IUPAC Name: 1-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea | CAS Registry Number: 122548-33-8
Synonyms: Imazosulfuron [ISO], TH 913, CID92433, LS-80327, 1-(2-Chloroimidazo(1,2-a)pyridin-3-ylsulfonyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea, Imidazo(1,2-a)pyridine-3-sulfonamide, 2-chloro-N-(((4,6-dimethoxy- 2-pyrimidinyl)amino)carbonyl)-

Molecular Formula: C14H13ClN6O5SMolecular Weight: 412.808220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: NAGRVUXEKKZNHT-UHFFFAOYSA-N

• Indapamide
IUPAC Name: 4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide | CAS Registry Number: 26807-65-8
Synonyms: indapamide, Lozol, Indaflex, Natrilix, Pressurai, Tertensif, Bajaten, Indamol, Noranat, Veroxil, Arifon, Cormil, Damide, Fludex, Ipamix, Tandix, Metindamide, Natrix, Indapamide (USP), Natrix (TN)

Molecular Formula: C16H16ClN3O3SMolecular Weight: 365.834540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: NDDAHWYSQHTHNT-UHFFFAOYSA-N

• Indole 3-Butyric Acid
IUPAC Name: 4-(1H-indol-3-yl)butanoic acid | CAS Registry Number: 133-32-4
Synonyms: Indolebutyric acid, Seradix, Hormodin, Jiffy grow, 3-Indolebutyric acid, Indolbutyric acid, Rhizopon AA, Indole-3-butyric acid, Seradix 2, Seradix 3, Oxyberon, Hormex rooting powder, Rootone, Hormex, Indole butyric acid, Indole-3-butanoic acid, Seradix B 2, Seradix B 3, beta-Iba, Stim-Root

Molecular Formula: C12H13NO2Molecular Weight: 203.237120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JTEDVYBZBROSJT-UHFFFAOYSA-N

• Indole 3-Propionic Acid
IUPAC Name: 3-(1H-indol-3-yl)propanoic acid | CAS Registry Number: 830-96-6
Synonyms: Indole-3-propionic acid, Oxigon, IPA (auxin), Indolepropionic acid, 3-Indolepropionic acid, beta-Indolylpropionate, 1H-Indole-3-propanoic acid, Indolylpropionic Acid, 3-(3-Indolyl)propanoic acid, 3-(3-Indolyl)propionic acid, 3-(3-Indole)propionic acid, .beta.-Indolylpropionate, Maybridge1_002431, 1H-Indole-3-proponoic acid, 3-(2-Carboxyethyl)-1H-indole, .beta.-Indolepropionic acid, CCRIS 4424, 3-(Indol-3-yl)propionic acid, beta-(3-Indolyl)propionic acid, Oprea1_071255

Molecular Formula: C11H11NO2Molecular Weight: 189.210540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: GOLXRNDWAUTYKT-UHFFFAOYSA-N

• Indole-2-Carboxylic Acid
IUPAC Name: 1H-indole-2-carboxylic acid | CAS Registry Number: 1477-50-5
Synonyms: 2-Carboxyindole, Indole-2-carboxylic acid, 2-Indolecarboxylic acid, 1H-Indole-2-carboxylic acid, Spectrum_001485, SpecPlus_000676, Spectrum2_000021, Spectrum3_000943, Spectrum4_001042, Spectrum5_001735, I5109_ALDRICH, Oprea1_557882, KBioGR_001304, KBioSS_001965, DivK1c_006772, SPECTRUM1502082, SPBio_000081, INDOLE-2-CARBOXLIC ACID, EINECS 216-030-4, KBio1_001716

Molecular Formula: C9H7NO2Molecular Weight: 161.157380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: HCUARRIEZVDMPT-UHFFFAOYSA-N

• Indole-3-butyric acid potassium salt
IUPAC Name: potassium;4-(1H-indol-3-yl)butanoate | CAS Registry Number: 60096-23-3
Synonyms: Potassium 4-(1H-indol-3-yl)butanoate, ST055654, 4-indol-3-ylbutanoic acid, potassium salt, PubChem22140, SureCN584105, Ambcb5119461, potassium ion indole-3 butyrate, MolPort-002-131-937, SBB003208, AKOS003270616, AKOS015891187, AKOS015905552, AKOS016010273, Indole-3-butyric acid, potassium salt, MCULE-4353856647, AK114638, S456, 4-(3-Indolyl)butanoic acid potassium salt, KB-259357, FT-0616589

Molecular Formula: C12H12KNO2Molecular Weight: 241.327480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: KTWDHJYSJOSTSJ-UHFFFAOYSA-M

• Indole-4-carboxaldehyde
IUPAC Name: 1H-indole-4-carbaldehyde | CAS Registry Number: 1074-86-8
Synonyms: 4-Formylindole, 1H-Indole-4-carbaldehyde, 1H-Indole-4-carboxaldehyde, 632422_ALDRICH, NSC337264, ALBB-004801, ZERO/008830, CID333703, ZINC01576624, F2311G1, TL8000263, I-2202

Molecular Formula: C9H7NOMolecular Weight: 145.157980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JFDDFGLNZWNJTK-UHFFFAOYSA-N

• Indole-5-carboxaldehyde
IUPAC Name: 1H-indole-5-carbaldehyde | CAS Registry Number: 1196-69-6
Synonyms: 5-Formylindole, Indole-5-aldehyde, 1H-Indole-5-carbaldehyde, 513830_ALDRICH, ZINC02389301, BB_SC-4604, ALBB-004800, CID589040, F2137G1, I-2203

Molecular Formula: C9H7NOMolecular Weight: 145.157980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ADZUEEUKBYCSEY-UHFFFAOYSA-N

• Indole-5-Carboxylic Acid
IUPAC Name: 1H-indole-5-carboxylic acid | CAS Registry Number: 1670-81-1
Synonyms: Indole-5-carboxylic acid, I5400_ALDRICH, 1H-indole-5-carboxylic acid, I2250_SIGMA, 57230_FLUKA, ALBB-006266, EINECS 216-799-6, SBB003951, TL8001286, I-2338, I-2340, InChI=1/C9H7NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,(H,11,12

Molecular Formula: C9H7NO2Molecular Weight: 161.157380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IENZCGNHSIMFJE-UHFFFAOYSA-N

• Indole-6-carboxaldehyde
IUPAC Name: 1H-indole-6-carbaldehyde | CAS Registry Number: 1196-70-9
Synonyms: 6-Formylindole, 1H-indole-6-carbaldehyde, 632406_ALDRICH, ZINC02577867, BB_SC-4710, ALBB-004799, CID2773435, F2138G1, TL8000525, I-2204

Molecular Formula: C9H7NOMolecular Weight: 145.157980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VSPBWOAEHQDXRD-UHFFFAOYSA-N

• Indole-6-carboxylic acid
IUPAC Name: 1H-indole-6-carboxylic acid | CAS Registry Number: 1670-82-2
Synonyms: 6-Indolecarboxylic acid, 1H-Indole-6-carboxylic acid, Maybridge4_003509, Oprea1_870961, MLS000039633, 576662_ALDRICH, ALBB-006287, SBB000134, NCGC00068410-02, SMR000037044, TL8001287, I-2350

Molecular Formula: C9H7NO2Molecular Weight: 161.157380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: GHTDODSYDCPOCW-UHFFFAOYSA-N

• Indole-7-carboxaldehyde
IUPAC Name: 1H-indole-7-carbaldehyde | CAS Registry Number: 1074-88-0
Synonyms: 7-Formylindole, Ambap6915, 1H-indole-7-carbaldehyde, 632414_ALDRICH, 53643_FLUKA, ZINC02244217, CID2734629, F2139M500, I-2206

Molecular Formula: C9H7NOMolecular Weight: 145.157980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XQVZDADGTFJAFM-UHFFFAOYSA-N

• Indole-7-carboxylic acid
IUPAC Name: 1H-indole-7-carboxylic acid | CAS Registry Number: 1670-83-3
Synonyms: 7-Indolecarboxylic acid, 1H-Indole-7-carboxylic acid, Oprea1_470510, Oprea1_510927, CID74281, EINECS 216-801-5, BAS 00733696, ST5169434, EU-0067136, H29042, I-2360

Molecular Formula: C9H7NO2Molecular Weight: 161.157380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IPDOBVFESNNYEE-UHFFFAOYSA-N

• Indoline
IUPAC Name: 2,3-dihydro-1H-indole | CAS Registry Number: 496-15-1
Synonyms: Dihydroindole, 1-Azaindan, 2,3-Dihydro-1H-indole, 2,3-DIHYDROINDOLE, 1H-Indole, 2,3-dihydro-, I5605_ALDRICH, 57240_FLUKA, CHEBI:43295, EINECS 207-816-8, BRN 0111915, SBB004291, ZINC00967454, AI3-39164, LS-82883, LS-82884, TL8003301, 5-20-06-00238 (Beilstein Handbook Reference), AG-690/11351758, IDM, InChI=1/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H

Molecular Formula: C8H9NMolecular Weight: 119.163760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: LPAGFVYQRIESJQ-UHFFFAOYSA-N

• Indoline-2-carboxylic acid (CAS: 78348-28-0)
• Indoline-3-carboxylic acid
IUPAC Name: 2,3-dihydro-1H-indole-3-carboxylic acid | CAS Registry Number: 39891-70-8
Synonyms: 2,3-DIHYDRO-1H-INDOLE-3-CARBOXYLIC ACID, AG-F-41001, PubChem7283, SureCN3749720, CTK1C2194, MolPort-000-003-204, ACT09672, ANW-46468, RW1151, SBB066628, 1H-INDOLINE-3-CARBOXYLIC ACID, AKOS006280722, AB16477, LS20140, AC-11923, AK-86146, I481, KB-52685, 1H-Indole-3-carboxylicacid, 2,3-dihydro-, TL8002879

Molecular Formula: C9H9NO2Molecular Weight: 163.173260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: RXHBTEVUVWXEBO-UHFFFAOYSA-N

• Indoxacarb
IUPAC Name: methyl 7-chloro-2-[methoxycarbonyl-[4-(trifluoromethoxy)phenyl]carbamoyl]-3,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a-carboxylate | CAS Registry Number: 144171-61-9
Synonyms: UNII-PKL1F8Y0FV, Indoxacarb, (+/-)-, SureCN22074, CTK8E8690, AKOS015895562, NCGC00164264-01, ST51052949, A808186, I06-1080, 7-chloro-2-[[N-methoxycarbonyl-4-(trifluoromethoxy)anilino]-oxomethyl]-3,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a-carboxylic acid methyl ester, Indeno(1,2-e)(1,3,4)oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-(((methoxycarbonyl)(4-(trifluoromethoxy)phenyl)amino)carbonyl)-, methyl ester, methyl 7-chloranyl-2-[methoxycarbonyl-[4-(trifluoromethyloxy)phenyl]carbamoyl]-3,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a-carboxylate

Molecular Formula: C22H17ClF3N3O7Molecular Weight: 527.834490 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 11

InChIKey: VBCVPMMZEGZULK-UHFFFAOYSA-N

• Inosine Pranobex
IUPAC Name: 4-acetamidobenzoic acid; 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one; 1-(dimethylamino)propan-2-ol | CAS Registry Number: 36703-88-5
Synonyms: Inosiplex, Isoprinosine, Methisoprinol, Delimmun, Isoviral, Viruxan, Aviral, Isoprinosina, Isoprinosin, Imunovir, Methysoprinol, Metisoprinol, Immunovir, INOSINE PRANOBEX, INPX, Isoprinosine (TN), Inosine pranobex (JAN), Inosine pranobex [BAN:JAN], EINECS 253-162-1, NP 113

Molecular Formula: C52H78N10O17Molecular Weight: 1115.232520 [g/mol]
H-Bond Donor: 13H-Bond Acceptor: 22

InChIKey: YLDCUKJMEKGGFI-QCSRICIXSA-N

• Iodochlorohydroxyquinoline
IUPAC Name: 5-chloro-7-iodoquinolin-8-ol | CAS Registry Number: 130-26-7
Synonyms: clioquinol, Chloroiodoquine, Chinoform, Iodochlorhydroxyquin, Vioform, Iodochloroquine, Iodoxyquinoline, Chloroiodoquin, Enteroquinol, Enteroseptol, Iodochloroxine, Iodo, Entero-Vioform, Chlorojodochin, Enterseptol, Iodoenterol, Quinambicide, Alchloquin, Barquinol, Cliquinol

Molecular Formula: C9H5ClINOMolecular Weight: 305.499570 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QCDFBFJGMNKBDO-UHFFFAOYSA-N

• Iodosulfuron-methyl
IUPAC Name: 4-iodo-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoic acid | CAS Registry Number: 185119-76-0
Synonyms: Iodosulfuron, Iodosulfuron [ISO], CID11496886, 4-iodo-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoic Acid

Molecular Formula: C13H12IN5O6SMolecular Weight: 493.233750 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: MBFHUWCOCCICOK-UHFFFAOYSA-N

• IPROVALICARB; ISOPROPYL 2-METHYL-1-[(1-P-TOLYLETHYL)CARBAMOYL]-(S)-PROPYLCARBAMATE
IUPAC Name: propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate | CAS Registry Number: 140923-17-7
Synonyms: Iprovalicarb, Fencaramid, Melody, Iprovalicarb [ISO:BSI], Nanogen code IPV, NIUS, 33431_RIEDEL, SZX 0722, 33431_FLUKA, MolPort-003-930-313, LS-182620, isopropyl 2-methyl-1-{((RS)-1-p-tolylethyl)carbamoyl}-(S)-propylcarbamate, Nalpha-(Isopropoxycarbonyl)-N-[1-(p-tolyl)ethyl]-L-valinamide, 1-methylethyl ((1S)-2-methyl-1-(((1-(4-methylphenyl)ethyl)amino)carbonyl)propyl)carbamate, Isopropyl (S)-2-methyl-1-[1-(p-tolyl)ethylcarbamoyl]propylcarbamate, Carbamic acid, (1S)-2-methyl-1-1-(4-methylphenyl)ethylaminocarbonylpropyl-, 1-methylethyl ester, 201800-35-3, Carbamic acid, ((1S)-2-methyl-1-(((1-(4-methylphenyl)ethyl)amino)carbonyl)propyl)-, 1-methylethyl ester

Molecular Formula: C18H28N2O3Molecular Weight: 320.426520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: NWUWYYSKZYIQAE-BZSJEYESSA-N

• Iron Acetylacetonate (ic)
IUPAC Name: iron(3+); (Z)-4-oxopent-2-en-2-olate | CAS Registry Number: 14024-18-1
Synonyms: Nasemu Iron, Iron acetylacetone, Ferric acetylacetonate, Acetope Fe(II), Iron acetylacetonate, Tris(actylacetone)iron, Iron triacetylacetonate, Tris(acetylacetone)iron, Ferric triacetylacetonate, Tris(acetylacetonato)iron, Iron tris(acetoacetonate), Tris(actylacetonato) iron, Iron(3+) acetylacetonate, Iron tris(acetylacetonate), Iron(III) acetylacetonate, Ferric tris(acetoacetonate), (Acetylacetonato)iron(III), Ferric tris(acetylacetonate), Iron acetylacetonate (VAN), Tris(2,4-pentanedionato)iron

Molecular Formula: C15H21FeO6Molecular Weight: 353.168640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: AQBLLJNPHDIAPN-LNTINUHCSA-K

• Iso-octyltriethoxysilane
IUPAC Name: triethoxy(2,4,4-trimethylpentyl)silane | CAS Registry Number: 35435-21-3
Synonyms: EINECS 252-558-1, Triethoxy(2,4,4-trimethylpentyl)silane, Silane, triethoxy(2,4,4-trimethylpentyl)-

Molecular Formula: C14H32O3SiMolecular Weight: 276.487580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UWZSHGZRSZICIW-UHFFFAOYSA-N

• Isobutyltrimethoxysilane
IUPAC Name: trimethoxy(2-methylpropyl)silane | CAS Registry Number: 18395-30-7
Synonyms: Isobutyl(trimethoxy)silane, 444065_ALDRICH, 679364_ALDRICH, Trimethoxy(2-methylpropyl)silane, Silane, trimethoxy(2-methylpropyl)-, CID87622, EINECS 242-272-5, 86168-13-0, 99550-64-8

Molecular Formula: C7H18O3SiMolecular Weight: 178.301520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XYJRNCYWTVGEEG-UHFFFAOYSA-N

• Isopropylxanthic disulfide
IUPAC Name: O-propan-2-yl propan-2-yloxycarbothioyldisulfanylmethanethioate | CAS Registry Number: 105-65-7
Synonyms: Diproxide, Diproxid, Diisopropylxanthogen, Diisopropyl dixanthogen, Bis(isopropylxanthogen), Diisopropyl xanthogenate, Bis(2-propyl)dixanthogen, Diisopropylxantho disulfide, Xanthogen, bisisopropyl-, Diisopropyl xanthogen disulfide, Isopropyl xanthogen disulfide, Diisopropylxanthogen disulfide, Bis(2-propyl) dixanthogen, Thiuram disulfide analog, Xanthogen, bis[isopropyl-, Bis(isopropylxanthogen) disulfide, Diisopropyl xanthogenate disulfide, Bis(O-isopropylxanthyl) disulfide, O,O-Diisopropyl dithiobis(thioformate), Diisopropyl tetrathioperoxydicarbonate

Molecular Formula: C8H14O2S4Molecular Weight: 270.455560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZWWQICJTBOCQLA-UHFFFAOYSA-N

• Isoquinoline
IUPAC Name: isoquinoline | CAS Registry Number: 119-65-3
Synonyms: ISOQUINOLINE, 2-Benzazine, Leucoline, 2-Azanaphthalene, Benzo[c]pyridine, beta-Quinoline, .beta.-Quinoline, Benzopyridine, Isochinolin, Benzo(c)pyridine, 3,4-Benzopyridine, Isochinolin [Czech], FEMA No. 2978, CCRIS 5752, WLN: T66 CNJ, I28208_ALDRICH, 282162_ALDRICH, NSC 3395, CHEBI:16092, EINECS 204-341-8

Molecular Formula: C9H7NMolecular Weight: 129.158580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: AWJUIBRHMBBTKR-UHFFFAOYSA-N

• Isoquinoline-1-Carboxylic Acid
IUPAC Name: isoquinoline-1-carboxylic acid | CAS Registry Number: 486-73-7
Synonyms: 1-Isoquinolinecarboxylic acid, Isoquinoline-1-carboxylic acid, 150134_ALDRICH, 58752_FLUKA, ALBB-005987, EINECS 207-639-6, NSC218351, AI3-61946, ST5308467

Molecular Formula: C10H7NO2Molecular Weight: 173.168080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XAAKCCMYRKZRAK-UHFFFAOYSA-N

• Isoquinoline-5-Sulphonyl Chloride Hydrochloride
IUPAC Name: isoquinoline-5-sulfonyl chloride;hydrochloride | CAS Registry Number: 105627-79-0
Synonyms: isoquinoline-5-sulfonyl chloride hydrochloride, Isoquinoline-5-sulphonyl chloride hydrochloride, Isoquinoline-5-sulfonyl chloride HCl, SBB055046, 5-Isoquinolinesulfonylchloride, hydrochloride (1:1), 5-isoquinolinesulfonyl chloride hydrochloride, isoquinoline-5-sulfonylchloridehydrochloride, ISOQUINOLINE-5-SULFONYL CHLORIDE, HYDROCHLORIDE, zlchem 500, AC1Q3BJG, ACMC-1BOV3, AGN-PC-00KZ2A, CTK0H3910, ZLC0365, MolPort-001-770-757, ACT03708, ANW-42411, chloro-5-isoquinolylsulfone, chloride, AKOS015897027, AG-B-23092

Molecular Formula: C9H7Cl2NO2SMolecular Weight: 264.128380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GZQNTWHQJJVIAK-UHFFFAOYSA-N

• ISOXABEN
IUPAC Name: 2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide | CAS Registry Number: 82558-50-7
Synonyms: Isoxaben, Benzamizole, Flexidor, Gallery, X-Pand, Prolan (herbicide), Isoxaben Technical, Cent 7, PROLAN, Caswell No. 419F, Compound 121607, Isoxaben [BSI:ISO], HSDB 6691, EL 107, 36138_RIEDEL, 36138_FLUKA, MolPort-003-930-905, EPA Pesticide Chemical Code 125851, CID73672, NA 8318

Molecular Formula: C18H24N2O4Molecular Weight: 332.394160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: PMHURSZHKKJGBM-UHFFFAOYSA-N

• ISOXAFLUTOLE
IUPAC Name: (5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone | CAS Registry Number: 141112-29-0
Synonyms: Isoxaflutole, Balance, Merlin, IFT cpd, Isoxaflutole [ISO], 46437_RIEDEL, 46437_FLUKA, HSDB 7275, MolPort-003-933-833, EXP 31130A, CID84098, RPA 201772, NCGC00164004-01, NCGC00164004-02, RP 201772, EINECS Annex I Index 606-054-00-7, 5-Cyclopropyl-4-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]isoxazole, (5-Cyclopropyl-4-isoxazolyl)(2-(methylsulfonyl)-4-(trifluoromethyl)phenyl)methanone, (5-cyclopropylisoxazol-4-yl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone, Methanone, (5-cyclopropyl-4-isoxazolyl)(2-(methylsulfonyl)-4-(trifluoromethyl)phenyl)-

Molecular Formula: C15H12F3NO4SMolecular Weight: 359.320290 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: OYIKARCXOQLFHF-UHFFFAOYSA-N

• Kahweofuran
IUPAC Name: 6-methyl-2,3-dihydrothieno[2,3-c]furan | CAS Registry Number: 26693-24-3
Synonyms: 2,3-dihydro-6-methyl-thieno[2,3c]furan, AC1LB1JL, SureCN2081489, 6-methyl-2,3-dihydrothieno[2,3-c]furan, Thieno(2,3-c)furan, 2,3-dihydro-6-methyl-, Bicyclo[3.3.0]-3-oxa-8-thia-1,4-octadiene, 2-methyl

Molecular Formula: C7H8OSMolecular Weight: 140.202820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WQOKVCDOEDFSAJ-UHFFFAOYSA-N


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