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Nanjing Trihedron Chemical Technology Co., Ltd.

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Profile: Nanjing Trihedron Chemical Technology Co., Ltd. develops fine chemical products. Our products are pyridine, pyrimidine, furans, pyrrolic, thiophene category, thiazoles, imidazole, pyrazole, indole triazole and other heterocyclic compounds. Multi-substituted benzenes include 2-methyl-4-thiocyanatophenol, 2-methyl-3-nitroanisole, 2-fluoro-5-nitroanisole, 4-bromo-3,5-diiodobenzaldehyde, 3, 5-diiodobenzoic acid and 5-benzyl-2-bromo-4-methoxylbenzoic acid.

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• Benzarone
IUPAC Name: (2-ethyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone | CAS Registry Number: 1477-19-6
Synonyms: Fragivix, Vasoc, Benzaron, Fagivil, Venagil, Fragivil, EHBB, Benzaronum [INN-Latin], Benzarona [INN-Spanish], L 2197-Labaz, Benzarone [DCF:INN], Benzarone [INN:DCF], L 2179-Labaz, NCIOpen2_004472, 2-Ethyl-3-(4-hydroxybenzoyl)benzofuran, NSC82134, EINECS 216-026-2, 2-Ethyl-3-(p-hydroxybenzoyl)benzofuran, 2-Ethyl-4'-hydroxy-3-benzoylbenzofuran, NSC 82134

Molecular Formula: C17H14O3Molecular Weight: 266.291260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RFRXIWQYSOIBDI-UHFFFAOYSA-N

• Benzo[b]thiophen-3-ylmethylae
IUPAC Name: 1-benzothiophen-3-ylmethanamine | CAS Registry Number: 40615-04-1
Synonyms: benzo[b]thiophen-3-ylmethanamine, 3-Aminomethylbenzo[b]thiophene, 1-benzothiophen-3-ylmethanamine, CHEMBL1922273, CDS1_000991, AC1MCQWH, Maybridge1_005743, SureCN655428, Oprea1_646294, DivK1c_002031, AC1Q543O, AC1Q543P, 3-Aminomethyl benzo[b]thiophene, Benzo[b]thiophene-3-methanamine, Benzo[b]thiophen-3-ylmethylamine, CTK1D5562, 1-Benzothiophen-3-Yl-Methanamine, MolPort-001-795-040, 1-(1-benzothien-3-yl)methanamine, 1-(1-Benzothiophen-3-Yl)methanamine

Molecular Formula: C9H9NSMolecular Weight: 163.239460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WHTPXNOFEHTZAD-UHFFFAOYSA-N

• Ethanone, 1-(2-amino-4-methoxy-3-methylphenyl)-
IUPAC Name: 1-(2-amino-4-methoxy-3-methylphenyl)ethanone | CAS Registry Number: 912347-94-5
Synonyms: 1-(2-amino-4-methoxy-3-methylphenyl)ethanone, 2-METHYL-3-AMINO-4-ACETYLANISOLE, AG-H-74222, (2-Amino-3-methyl-4-methoxyphenyl)acetone, 1-(2-amino-4-methoxy-3-methylphenyl)-Ethanone, zlchem 579, PubChem19710, SureCN312873, ETH027, CTK5G9092, ZLD0023, ACT06000, ANW-52323, SBB069164, ZINC21303871, AKOS006306549, RP24058, AK-26434, BR-26434, EN000387

Molecular Formula: C10H13NO2Molecular Weight: 179.215720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: VXBGCEDOGYNWHE-UHFFFAOYSA-N

• Ethoxymethylenemalononitrile
IUPAC Name: 2-(ethoxymethylidene)propanedinitrile | CAS Registry Number: 123-06-8
Synonyms: (Ethoxymethylene)malononitrile, 2-Cyano-3-ethoxyacrylonitrile, Ethoxymethylene malononitrile, USAF KF-10, Propanedinitrile, (ethoxymethylene)-, (Ethoxymethylene)propanedinitrile, USAF A-9230, E6200_ALDRICH, Malononitrile, (ethoxymethylene)-, WLN: NCYCN & 1O2, 2-(Ethoxymethylene)malononitrile, EINECS 204-597-0, ZERO/001251, NSC 27792, NSC27792, BRN 1634241, ZINC01641627, .alpha.-Cyano-.beta.-ethoxyacrylonitrile, AI3-28939, LS-88928

Molecular Formula: C6H6N2OMolecular Weight: 122.124640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OEICGMPRFOJHKO-UHFFFAOYSA-N

• Ethyl 2-(hydroxymethyl)acrylate
IUPAC Name: ethyl 2-(hydroxymethyl)prop-2-enoate | CAS Registry Number: 10029-04-6
Synonyms: Ethyl alpha-(hydroxymethyl) acrylate, 2-methylolacrylic acid ethyl ester, Ethyl 2-(hydroxymethyl)-2-propenoate, CID24827, BRN 1753938, ZINC02030916, LS-14714, 2-(Hydroxymethyl)acrylic Acid Ethyl Ester, H0916, ACRYLIC ACID, 2-(HYDROXYMETHYL)-, ETHYL ESTER, 4-03-00-00997 (Beilstein Handbook Reference), 2-Propenoic acid, 2-(hydroxymethyl)-, ethyl ester, 2-Propenoic acid, 2-(hydroxymethyl)-, ethyl ester (9CI)

Molecular Formula: C6H10O3Molecular Weight: 130.141800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SYGAXBISYRORDR-UHFFFAOYSA-N

• Ethyl 2-(methylthio)pyrimidine-5-carboxylate
IUPAC Name: ethyl 2-methylsulfanylpyrimidine-5-carboxylate | CAS Registry Number: 73781-88-1
Synonyms: 2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester, ethyl 2-(methylsulfanyl)pyrimidine-5-carboxylate, ETHYL 2-(METHYLTHIO)-5-PYRIMIDINECARBOXYLATE, AG-G-92296, Ethyl 2-(methylmercapto)pyrimidine-5-carboxylate, Ethyl 2-(methylsulphanyl)pyrimidine-5-carboxylate, 2-(Methylthio)-5-pyrimidinecarboxylicacidethylester, PubChem14388, SureCN243831, CTK2H7129, MolPort-003-987-831, ANW-72771, SBB065718, ZINC08699968, AKOS005146369, HP21852, PB17441, QC-2635, RP04165, AK-26811

Molecular Formula: C8H10N2O2SMolecular Weight: 198.242200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: LVNRRUKCFUSBDL-UHFFFAOYSA-N

• Ethyl ethoxymethylenecyanoacetate
IUPAC Name: ethyl (E)-2-cyano-3-ethoxyprop-2-enoate | CAS Registry Number: 94-05-3
Synonyms: Ethyl 2-cyano-3-ethoxyacrylate, Ethyl 3-ethoxy-2-cyanoacrylate, Ethyl cyano(ethoxymethylene)acetate, EINECS 202-299-5, NSC 27797, ZINC02044004, 2-Propenoic acid, 2-cyano-3-ethoxy-, ethyl ester, Acrylic acid, 2-cyano-3-ethoxy-, ethyl ester, AI3-23778, ST5308273, Acrylic acid, 2-cyano-3-ethoxy-, ethyl ester (8CI), InChI=1/C8H11NO3/c1-3-11-6-7(5-9)8(10)12-4-2/h6H,3-4H2,1-2H3/b7-6

Molecular Formula: C8H11NO3Molecular Weight: 169.177840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: KTMGNAIGXYODKQ-VOTSOKGWSA-N

• Homovanillic acid
IUPAC Name: 2-(4-hydroxy-3-methoxyphenyl)acetic acid | CAS Registry Number: 306-08-1
Synonyms: Homovanillate, Vanillacetic acid, HMPA, Lopac-H-1252, 4-Hydroxy-3-methoxyphenylacetic acid, Lopac0_000632, Oprea1_505423, MLS001056771, H1252_SIGMA, 3-Methoxy-4-hydroxyphenylacetate, Benzeneacetic acid, 4-hydroxy-3-methoxy-, 3-Methoxy-4-hydroxyphenylacetic acid, 4-Hydroxy-3-methoxybenzeneacetic acid, NSC16682, EINECS 206-176-7, Acetic acid, (4-hydroxy-3-methoxyphenyl)-, NSC 16682, NCGC00015497-01, NCGC00093999-01, NCGC00093999-02

Molecular Formula: C9H10O4Molecular Weight: 182.173300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: QRMZSPFSDQBLIX-UHFFFAOYSA-N

• Imidazo[1,2-a]pyridin-6-ylmethanol
IUPAC Name: imidazo[1,2-a]pyridin-6-ylmethanol | CAS Registry Number: 132213-07-1
Synonyms: imidazo[1,2-a]pyridin-6-ylmethanol, 6-(Hydroxymethyl)imidazo[1,2-a]pyridine, Imidazo[1,2-a]pyridine-6-methanol, AG-D-65472, ZINC03880855, ACMC-209zmz, AC1OEOW1, AC1Q7C3R, SureCN2049672, CTK0H3588, MolPort-000-142-956, ANW-50457, RW3168, SBB086580, AKOS006240730, CC33109, MCULE-4075581545, PB13061, QC-2573, RP01574

Molecular Formula: C8H8N2OMolecular Weight: 148.161920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: IEOADZOTWIMSMC-UHFFFAOYSA-N

• Isohomovanillic acid
IUPAC Name: 2-(3-hydroxy-4-methoxyphenyl)acetic acid | CAS Registry Number: 1131-94-8
Synonyms: Homo-iso-vanillic acid, MLS000574994, 4-Methoxy-3-hydroxyphenylacetic acid, 3-Hydroxy-4-methoxybenzeneacetic acid, (3-hydroxy-4-methoxyphenyl)acetic acid, SMR000156294

Molecular Formula: C9H10O4Molecular Weight: 182.173300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: BWXLCOBSWMQCGP-UHFFFAOYSA-N

• Methyl Imidazo[1,2-A]pyridine-6-Carboxylate
IUPAC Name: methyl imidazo[1,2-a]pyridine-6-carboxylate | CAS Registry Number: 136117-69-6
Synonyms: MolPort-001-760-551, ZINC03884293, CID2764326, Methyl imidazo[1,2-a]pyridine-6-carboxylate, M67455, 7X-0857

Molecular Formula: C9H8N2O2Molecular Weight: 176.172020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BTDBMFODXFTFIL-UHFFFAOYSA-N

• 4-Mercapto-2-methylphenol
IUPAC Name: 2-methyl-4-sulfanylphenol | CAS Registry Number: 32281-01-9
Synonyms: 4-Hydroxy-3-methylthiophenol, 4-hydroxy-3-methyl thiophenol, 2-methyl-4-sulfanyl-phenol, 4-Mercapto-O-cresol, PubChem6863, SureCN456165, AGN-PC-006QKP, 4-Mercapto-2-methyl-phenol, Phenol,4-mercapto-2-methyl-, Phenol, 4-mercapto-2-methyl-, Jsp005971, CTK4G8454, 4-HYDROXY-3-METHYLPHENTHIOL, ZINC21303064, AKOS006292072, AG-A-44364, AG-F-07855, QC-7355, RP01256, KB-72638

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

InChIKey: UMJGOCMSBZWCNY-UHFFFAOYSA-N

• 3,5-Dibromoanisole
IUPAC Name: 1,3-dibromo-5-methoxybenzene | CAS Registry Number: 74137-36-3
Synonyms: 1,3-Dibromo-5-methoxybenzene, AG-G-94388, PubChem2009, 3,5-Dibromoanisole,, ACMC-1BH5R, SureCN309832, KSC493Q1D, CTK3J3811, MolPort-002-462-132, Benzene, 1,3-dibromo-5-methoxy-, ACN-S004640, ACT11656, ANW-36436, ZINC02579265, AKOS015834288, AC-3780, AM61638, AS01384, AS04144, LS10488

Molecular Formula: C7H6Br2OMolecular Weight: 265.929940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OQZAQBGJENJMHT-UHFFFAOYSA-N

• 6,7-dihydro-5H-quinoline-8-one
IUPAC Name: 6,7-dihydro-5H-quinolin-8-one | CAS Registry Number: 56826-69-8
Synonyms: 6,7-dihydro-5H-quinolin-8-one, 6,7-dihydroquinolin-8(5h)-one, 8(5h)-quinolinone, 6,7-dihydro-, 6,7-dihydro-8(5H)-quinolinone, AG-F-99899, PubChem14090, AGN-PC-00FAEH, SureCN728503, KSC269I1J, CTK1G9414, MolPort-002-499-420, ACT09162, AC-346, ANW-54118, RW2752, SBB062980, ZINC02512985, AKOS004118051, AB16309, LS40612

Molecular Formula: C9H9NOMolecular Weight: 147.173860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JIAKIQWNYAZUJD-UHFFFAOYSA-N

• 5-Hydroxymethyl Thiazole
IUPAC Name: 1,3-thiazol-5-ylmethanol | CAS Registry Number: 38585-74-9
Synonyms: 5-Thiazolemethanol, 5-Hydroxymethylthiazole, Ambap2763, ZINC02527712, CID2763216, T2166M500, TL8002812

Molecular Formula: C4H5NOSMolecular Weight: 115.153600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WKBQQWDVVHGWDB-UHFFFAOYSA-N

• 4-Bromo-3-fluorobenzoic acid
IUPAC Name: 4-bromo-3-fluorobenzoate | CAS Registry Number: 153556-42-4
Synonyms: ZINC02567814, CID7020873

Molecular Formula: C7H3BrFO2-Molecular Weight: 217.999923 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RMYOGXPGIDWJLU-UHFFFAOYSA-M

• 3-Trifluoromethyl Acetophenone
IUPAC Name: 1-[3-(trifluoromethyl)phenyl]ethanone | CAS Registry Number: 349-76-8
Synonyms: 3'-(Trifluoromethyl)acetophenone, 3-Acetylbenzotrifluoride, 3-Trifluoromethylacetophenone, m-Trifluoromethylacetophenone, 233161_ALDRICH, NSC81888, 91745_FLUKA, CID67682, JRD-0181, NSC59177, EINECS 206-490-4, ZINC00163150, Ethanone, 1-(3-(trifluoromethyl)phenyl)-, Ethanone, 1-[3-(trifluoromethyl)phenyl]-, ST5406485, InChI=1/C9H7F3O/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-5H,1H

Molecular Formula: C9H7F3OMolecular Weight: 188.146490 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ABXGMGUHGLQMAW-UHFFFAOYSA-N

• 2-Chlorophenylhydrazine hydrochloride
IUPAC Name: (2-chlorophenyl)hydrazine | CAS Registry Number: 41052-75-9
Synonyms: 2-Chlorophenylhydrazine, (2-chlorophenyl)hydrazine, 1-(2-Chlorophenyl)hydrazine, ALBB-005963, EINECS 255-194-1, o-Chlorophenylhydrazine hydrochloride, ZINC00085239, NCI60_000014, Hydrazine, (2-chlorophenyl)-, monohydrochloride, A2253/0094890

Molecular Formula: C6H7ClN2Molecular Weight: 142.586180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: GHGPIPTUDQZJJS-UHFFFAOYSA-N

• 5-Fluorobenzofuran-3-one
IUPAC Name: 5-fluoro-1-benzofuran-3-one | CAS Registry Number: 60770-49-2
Synonyms: 5-Fluoro-benzofuran-3-one, 5-fluorobenzofuran-3(2H)-one, SBB068497, PubChem18003, 5-Fluoro-3-Benzofuranone, AGN-PC-00KGHT, AC1Q4N1H, SureCN3152242, CTK5B2222, 3(2H)-Benzofuranone,5-fluoro-, MolPort-003-886-372, 5-fluoro-2H-1-benzofuran-3-one, BH797, 3(2H)-Benzofuranone, 5-fluoro-, 5-Fluorobenzo[b]furan-3(2H)-one, ACT08893, 5-Fluoro-1-benzofuran-3(2H)-one, ANW-56970, FC0586, ZINC16083115

Molecular Formula: C8H5FO2Molecular Weight: 152.122503 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: AOFLDWWKVCKMDV-UHFFFAOYSA-N

• 2-Bromo-4-methoxy-5-(benzyloxy)benzoic acid
IUPAC Name: 2-bromo-4-methoxy-5-phenylmethoxybenzoic acid | CAS Registry Number: 24958-42-7
Synonyms: 2-BROMO-4-METHOXY-5-(BENZYLOXY)BENZOIC ACID, 2-Bromo-4-methoxy-5-benzyloxybenzoic acid, 5-Benzyloxy-2-bromo-4-methoxybenzoic Acid, AG-E-75083, PubChem14393, ACMC-1COF5, SureCN2158619, Jsp004965, CTK4F4700, MolPort-005-932-984, 5-Benzyloxy-2-bromo-p-anisic Acid, ANW-25581, SBB063723, AKOS015889639, AM62631, AK-34347, 2-bromo-5-benzyloxy-4-methoxybenzoic acid, KB-168990, B3332, FT-0601405

Molecular Formula: C15H13BrO4Molecular Weight: 337.165320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: FBTDEMXQQIWHKX-UHFFFAOYSA-N

• 3,5-dicyanofluorobenzene
IUPAC Name: 5-fluorobenzene-1,3-dicarbonitrile | CAS Registry Number: 453565-55-4
Synonyms: 5-Fluoroisophthalonitrile, 1,3-dicyano-5-fluorobenzene, 5-fluorobenzene-1,3-dicarbonitrile, 5-fluoroisopthalonitrile, 5-fluoro-1,3-benzenedicarbonitrile, SBB064434, 1,3-Benzenedicarbonitrile, 5-fluoro-, ZINC00153468, fluoroisophthalonitrile, PubChem4391, AC1MD3QT, 5-Fluoroisophthalonitrile;, SureCN1421650, KSC493M8N, CTK3J3686, MolPort-000-155-622, ACT12641, ANW-45801, RW3562, TD1137

Molecular Formula: C8H3FN2Molecular Weight: 146.121223 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: IJOYGTWYIUJJRU-UHFFFAOYSA-N

• 2-nitro-4-bromobenzoic acid
IUPAC Name: 4-bromo-2-nitrobenzoate | CAS Registry Number: 99277-71-1
Synonyms: ZINC02571659, CID7021384

Molecular Formula: C7H3BrNO4-Molecular Weight: 245.007020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ZIRHHEZLJGORGU-UHFFFAOYSA-M

• 3-Amino-2,6-dibromopyridine
IUPAC Name: 2,6-dibromopyridin-3-amine | CAS Registry Number: 39856-57-0
Synonyms: 2,6-dibromopyridin-3-amine, 2,6-dibromo-pyridin-3-ylamine, 2,6-dibromo-3-pyridinamine, 2,6-dibromo-3-pyridylamine, 3-Pyridinamine, 2,6-dibromo-, AG-F-40863, AC-907/30003003, ZINC00331800, zlchem 949, PubChem9809, ACMC-209j8e, AC1LG9O6, AC1Q50IH, KSC495I3F, 3-Amino-2,6-dibromopyridine,, AC1Q26H0, CTK3J5432, ZLD0415, MolPort-000-140-034, ACN-S003835

Molecular Formula: C5H4Br2N2Molecular Weight: 251.906660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CRTOIQFRVBJJRI-UHFFFAOYSA-N

• 2-Ethyl-3-Benzofurancarboxaldehyde
IUPAC Name: 2-ethyl-1-benzofuran-3-carbaldehyde | CAS Registry Number: 10035-41-3
Synonyms: 2-Ethyl-benzofuran-3-carbaldehyde, ZINC04218308, BAS 10150379, CID3159652

Molecular Formula: C11H10O2Molecular Weight: 174.195900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LVRCCWCFOHNTLJ-UHFFFAOYSA-N

• 2-Amino-4-bromobenzoic acid
IUPAC Name: 2-amino-4-bromobenzoic acid | CAS Registry Number: 20776-50-5
Synonyms: Ambap1224, 664863_ALDRICH, EINECS 244-025-7, CID88691, NCGC00171016-01, TL8001716, PK04_096199

Molecular Formula: C7H6BrNO2Molecular Weight: 216.032040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: BNNICQAVXPXQAH-UHFFFAOYSA-N

• 3,5-Diiodobenzaldehyde
IUPAC Name: 3,5-diiodobenzaldehyde | CAS Registry Number: 17352-25-9
Synonyms: 3,5-diiodobenzaldehyde, AG-E-23057, Benzaldehyde,3,5-diiodo-, 3,5-bis(iodanyl)benzaldehyde, CTK4D4666, MolPort-005-941-399, ZINC22004948, AKOS005215873, AB42481, AK-60916, KB-28733, FT-0600726, A811524, I14-40226

Molecular Formula: C7H4I2OMolecular Weight: 357.915000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WBPOINHGBSDFDZ-UHFFFAOYSA-N

• 4,6-Dimethyl-2-hydroxypyridine
IUPAC Name: 4,6-dimethyl-1H-pyridin-2-one | CAS Registry Number: 16115-08-5
Synonyms: 4,6-dimethyl-2-pyridinol, 4,6-dimethylpyridin-2(1H)-one, ZINC01842080, NSC16613, 2(1H)-pyridinone, 4,6-dimethyl-, CID226288, 5L-514S, RF 00086, EU-0025024, InChI=1/C7H9NO/c1-5-3-6(2)8-7(9)4-5/h3-4H,1-2H3,(H,8,9

Molecular Formula: C7H9NOMolecular Weight: 123.152460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: FSPIBFKGESGOLU-UHFFFAOYSA-N

• 2-Chloro-3,4-difluoronitrobenzene
IUPAC Name: 3-chloro-1,2-difluoro-4-nitrobenzene | CAS Registry Number: 169468-83-1
Synonyms: 2-chloro-3,4-difluoro-1-nitrobenzene, SBB064334, 3-chloro-1,2-difluoro-4-nitrobenzene, PubChem1047, AGN-PC-00LN2I, SureCN3723529, CTK8B5087, MolPort-001-772-763, ACT00203, 2-Chloro-3, 4-difluoronitrobenzene, ANW-47484, ZINC16158174, AKOS006345236, AC-5971, AG-H-08161, AM61795, AS01530, QC-7482, RP25267, AK-33635

Molecular Formula: C6H2ClF2NO2Molecular Weight: 193.535386 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: MOKXBJZRTOPIFB-UHFFFAOYSA-N

• 3-Chloro-4,5-difluoronitrobenzene
IUPAC Name: 1-chloro-2,3-difluoro-5-nitrobenzene | CAS Registry Number: 53780-44-2
Synonyms: EINECS 258-769-5, CID104606, 1-Chloro-2,3-difluoro-5-nitrobenzene

Molecular Formula: C6H2ClF2NO2Molecular Weight: 193.535386 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: BSKCLLCICPDISV-UHFFFAOYSA-N

• 2-methyl thieno[2,3-d]thiazole
IUPAC Name: 2-methylthieno[2,3-d][1,3]thiazole | CAS Registry Number: 61612-02-0
Synonyms: 2-Methylthieno[2,3-d]thiazole, PubChem14385, SureCN2931821, CTK2F2902, MolPort-005-940-848, ZINC22002134, AKOS006273391, 2-methylthieno[2,3-d][1,3]thiazole, AG-G-24685, QC-6025, AK112890, KB-173835, A833331

Molecular Formula: C6H5NS2Molecular Weight: 155.240600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LYRYMIMXAYOASW-UHFFFAOYSA-N

• 2-Propenoic Acid, 3-(dimethylamino)-2-Formyl-, Ethyl Ester
IUPAC Name: ethyl 3-(dimethylamino)-2-formylprop-2-enoate | CAS Registry Number: 92385-43-8
Synonyms: ETHYL 3-DIMETHYLAMINO-2-FORMYLACRYLATE, AG-H-78770, Ethyl 3-(dimethylamino)-2-formylacrylate, AGN-PC-00MGUG, CTK5H1223, ANW-62146, KB-51114, 2-Propenoic acid, 3-(dimethylamino)-2-formyl-, ethyl ester

Molecular Formula: C8H13NO3Molecular Weight: 171.193720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: BWSIQAALZBOBQJ-UHFFFAOYSA-N

• 5-bromo-2-mercapto benzothlazole
IUPAC Name: 5-bromo-3H-1,3-benzothiazole-2-thione | CAS Registry Number: 71216-20-1
Synonyms: 5-Bromo-2-mercaptobenzothiazole, SureCN1850412, ACMC-1BC48, 5-bromobenzothiazole-2-thiol, AC1N9C13, 5-bromobenzo[d]thiazole-2-thiol, CTK5I8241, 5-Bromo-2-mercaptobenzothiazole,, MolPort-002-892-922, ANW-36009, SBB100094, AKOS015834695, AKOS015904175, AG-A-84193, 5-bromo-3H-1,3-benzothiazole-2-thione, AK-24346, K204, KB-42098, 5-BROMO-2-MERCAPTO BENZO THIAZOLE, KB-245306

Molecular Formula: C7H4BrNS2Molecular Weight: 246.147360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OKHQGCOLOHTELL-UHFFFAOYSA-N

• 2-Fluoro-5-iodobenzaldehyde
IUPAC Name: 2-fluoro-5-iodobenzaldehyde | CAS Registry Number: 146137-76-0
Synonyms: 2-fluoro-5-iodo-benzaldehyde, SBB063108, PubChem4222, ACMC-1BYPB, AC1Q4MI0, 543314_ALDRICH, CTK3J7367, MolPort-001-778-066, 2-fluoranyl-5-iodanyl-benzaldehyde, ANW-44307, CL8282, ZINC02506821, AKOS015888145, AG-D-90314, AM84201, AS03884, AK-80076, BP-12685, KB-24036, FT-0658423

Molecular Formula: C7H4FIOMolecular Weight: 250.008933 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BIRCCQCPGMMGPJ-UHFFFAOYSA-N

• 2-Methyl-3-nitroanisole
IUPAC Name: 1-methoxy-2-methyl-3-nitrobenzene | CAS Registry Number: 4837-88-1
Synonyms: Anisole, 2-methyl-3-nitro-, 115428_ALDRICH, 36558_RIEDEL, ZINC00161630, CID78554, Benzene, 1-methoxy-2-methyl-3-nitro-, EINECS 225-424-5, ST5408413, InChI=1/C8H9NO3/c1-6-7(9(10)11)4-3-5-8(6)12-2/h3-5H,1-2H

Molecular Formula: C8H9NO3Molecular Weight: 167.161960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HQCZLEAGIOIIMC-UHFFFAOYSA-N

• 6-Chlorobenzothiazole-2-thiol
IUPAC Name: 6-chloro-3H-1,3-benzothiazole-2-thione | CAS Registry Number: 51618-29-2
Synonyms: MLS000757205, NSC503425, EINECS 257-321-6, CID3034649, SMR000529041

Molecular Formula: C7H4ClNS2Molecular Weight: 201.696360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 0

InChIKey: CLHLOHAQAADLRA-UHFFFAOYSA-N

• 5-Chloro-2-ethylbenzofuran
IUPAC Name: 5-chloro-2-ethyl-1-benzofuran | CAS Registry Number: 39178-59-1
Synonyms: 5-CHLORO-2-ETHYLBENZOFURAN, AG-F-38287, SureCN2056119, Benzofuran,5-chloro-2-ethyl-, CTK4I1027, MolPort-019-904-591, 2-ETHYL-5-CHLOROBENZOFURAN, AKOS006307340, AK119015, KB-197322, 2-Ethyl-5-chlorobenzofuran;5-Chloro-2-ethylbenzofuran;

Molecular Formula: C10H9ClOMolecular Weight: 180.630860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: AKSTZTXWHQYVDW-UHFFFAOYSA-N

• 3-methyl-6-nifro-1H-indazole
IUPAC Name: 3-methyl-6-nitro-2H-indazole | CAS Registry Number: 6494-19-5
Synonyms: 3-Methyl-6-nitro-1H-indazole, 3-Methyl-6-nitroindazole, PubChem9492, PubChem18398, SureCN588431, SureCN1962143, KSC352S0D, 3-Methyl-6-nitro-1h-indazole;, CTK2F2901, ACN-S003364, ACT04824, ANW-51393, SBB067489, ZINC16677949, AKOS006336244, AKOS015842681, AG-G-43933, LS40005, PB24959, RP09305

Molecular Formula: C8H7N3O2Molecular Weight: 177.160080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FUNWSYKLFDLUIZ-UHFFFAOYSA-N

• 2-Acetylbenzofuran
IUPAC Name: 1-(1-benzofuran-2-yl)ethanone | CAS Registry Number: 1646-26-0
Synonyms: 2-Acetylcumarone, 2-Acetylcoumarone, Ethanone, 1-(2-benzofuranyl)-, 2-Benzofuranyl methyl ketone, 1-(2-Benzofuranyl)ethanone, Maybridge1_007536, Benzofuran-2-yl methyl ketone, Benzo(b)furan-2-yl methyl ketone, 154377_ALDRICH, KETONE, 2-BENZOFURANYL METHYL, 1-(1-Benzofuran-2-yl)ethanone, EINECS 216-706-9, NSC 23974, NSC 28904, NSC23974, NSC28904, BRN 0117910, ZINC00102698, LS-87041, ST5214659

Molecular Formula: C10H8O2Molecular Weight: 160.169320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YUTFQTAITWWGFH-UHFFFAOYSA-N

• 2-Aminoquinoline
IUPAC Name: quinolin-2-amine | CAS Registry Number: 580-22-3
Synonyms: 2-Quinolinamine, Quinoline, 2-amino-, Aminoquinoline, Quinolinamine, 2-AMINOQUINOLINE, Fragment 19, quinolin-2-ylamine, CCRIS 1677, EINECS 209-458-8, NSC 57739, NSC 58387, NSC57739, NSC58387, BRN 0113163, LS-141297, ST5409632, 5-22-10-00220 (Beilstein Handbook Reference), AC-907/25014242, 2AQ, 31135-62-3

Molecular Formula: C9H8N2Molecular Weight: 144.173220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GCMNJUJAKQGROZ-UHFFFAOYSA-N

• 3-(2-Fluorophenyl)-3-Oxopropionitrile
IUPAC Name: 3-(2-fluorophenyl)-3-oxopropanenitrile | CAS Registry Number: 31915-26-1
Synonyms: ZINC02579797, BBR-005881, CID4962749

Molecular Formula: C9H6FNOMolecular Weight: 163.148443 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WNDLOBWBYQHDQY-UHFFFAOYSA-N

• 4,6-Dimethyl-3-Nitropyridine
IUPAC Name: 2,4-dimethyl-5-nitropyridine | CAS Registry Number: 1074-99-3
Synonyms: 2,4-Dimethyl-5-nitropyridine, 4,6-DIMETHYL-3-NITROPYRIDINE, SBB055686, AG-D-23091, 2,4-dimethyl-5-nitro-pyridine, 3-Nitro-4,6-lutidine, ACMC-1BU0H, SureCN843761, AGN-PC-00NOY1, CTK4A5468, MolPort-001-770-982, Pyridine,2,4-dimethyl-5-nitro-, Pyridine, 2,4-dimethyl-5-nitro-, ACT01403, ANW-15815, RW3776, ZINC15781252, AKOS015911537, AG-A-64424, MCULE-2750152045

Molecular Formula: C7H8N2O2Molecular Weight: 152.150620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: GMAJNANLBOHCAU-UHFFFAOYSA-N

• 2-(4-Pyridinyl)benzaldehyde
IUPAC Name: 2-pyridin-4-ylbenzaldehyde | CAS Registry Number: 176526-00-4
Synonyms: 2-pyridin-4-ylbenzaldehyde, 2-(4-Pyridyl)benzaldehyde, benzaldehyde, 2-(4-pyridinyl)-, 2PNL-P04-0, ZINC02583837, InChI=1/C12H9NO/c14-9-11-3-1-2-4-12(11)10-5-7-13-8-6-10/h1-9

Molecular Formula: C12H9NOMolecular Weight: 183.205960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HPSCYFZOYJSYGZ-UHFFFAOYSA-N

• 5-Methyl-2-mercaptobenzothiazole
IUPAC Name: 5-methyl-3H-1,3-benzothiazole-2-thione | CAS Registry Number: 21303-50-4
Synonyms: 5-methyl-2-mercaptobenzothiazole, SureCN1770976, CTK4E6392, FC0634, 2(3H)-Benzothiazolethione,5-methyl-, AKOS006307078, AB62960, AG-E-56132, 5-METHYLBENZO[D]THIAZOLE-2-THIOL, KB-198005, 5-METHYL-1,3-BENZOTHIAZOLE-2-THIOL, I12-0396, 2-Benzothiazolethiol,5-methyl- (7CI);2-Benzothiazolinethione, 5-methyl- (8CI);2-Mercapto-5-methylbenzothiazole;5-Methyl-2-benzothiazolethiol;5-Methyl-2-mercaptobenzothiazole;

Molecular Formula: C8H7NS2Molecular Weight: 181.277880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ILDUPWKUQLPLKK-UHFFFAOYSA-N

• 2-Fluoro-5-iodobenzonitrile
IUPAC Name: 2-fluoro-5-iodobenzonitrile | CAS Registry Number: 351003-36-6
Synonyms: 2-fluoro-5-iodobenzonitirile, 2-fluoro-5-iodobenzonitirle, 2-fluoro-5-iodobenzenecarbonitrile, SBB064412, AG-F-20764, ZINC00404164, PubChem4779, AC1MCUDM, SureCN301704, KSC493M3H, 552453_ALDRICH, Benzonitrile, 2-fluoro-5-iodo-, CTK3J3633, MolPort-000-155-608, WT066, ACT12378, ANW-28065, AKOS005063927, AC-4073, AM61482

Molecular Formula: C7H3FINMolecular Weight: 247.008293 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BIZHQRAAZMDWNK-UHFFFAOYSA-N

• 3-Cyano-2-ethylbenzofuran
IUPAC Name: 2-ethyl-1-benzofuran-3-carbonitrile | CAS Registry Number: 42901-97-3
Synonyms: MolPort-002-469-848, ZINC04218502, CID7131038, T5441964

Molecular Formula: C11H9NOMolecular Weight: 171.195260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JUFZEKMBCHUDJC-UHFFFAOYSA-N

• 6-methyl-2-mercaptobenzothiazole
IUPAC Name: 6-methyl-3H-1,3-benzothiazole-2-thione | CAS Registry Number: 2268-79-3
Synonyms: 6-methyl-1,3-benzothiazole-2-thiol, AC1OEPMG, SureCN1771426, CHEMBL568738, CTK4E9945, MolPort-004-751-802, FC0635, STL301553, 6-METHYL-2-BENZOTHIAZOLETHIOL, 2(3H)-Benzothiazolethione,6-methyl-, AKOS005206611, AB42352, AG-E-65020, MCULE-8075635653, 6-methyl-3H-1,3-benzothiazole-2-thione, 6-METHYLBENZO[D]THIAZOLE-2-THIOL, KB-199557, I10-0442, 2-Benzothiazolethiol,6-methyl- (7CI,8CI);2-Mercapto-6-methylbenzothiazole;6-Methyl-2-benzothiazolethiol;

Molecular Formula: C8H7NS2Molecular Weight: 181.277880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: KECHYAFVYLLNCH-UHFFFAOYSA-N

• 5-Amino-2,4-Dimethylpyridine
IUPAC Name: 4,6-dimethylpyridin-3-amine | CAS Registry Number: 1193-71-1
Synonyms: 5-Amino-2,4-dimethylpyridine, 4,6-dimethylpyridin-3-amine, 3-AMINO-4,6-DIMETHYLPYRIDINE, 4,6-dimethyl-3-pyridinamine, 5-Amino-2,4-lutidine, 4,6-dimethyl-3-pyridylamine, 4,6-Dimethyl-pyridin-3-ylamine, AG-D-42244, F1957-0017, ZINC03881104, AC1OEP7A, SureCN4152897, 3-Pyridinamine,4,6-dimethyl-, CTK4B1247, MolPort-000-877-304, ANW-57863, SBB051865, AKOS002666144, AB41994, MCULE-5980684156

Molecular Formula: C7H10N2Molecular Weight: 122.167700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SHSQTJRJQHPJRQ-UHFFFAOYSA-N

• 5-Pyrimidinecarboxylic acid, 2-(methylthio)-, methyl ester
IUPAC Name: methyl 2-methylsulfanylpyrimidine-5-carboxylate | CAS Registry Number: 38275-41-1
Synonyms: Methyl 2-(Methylthio)pyrimidine-5-carboxylate, SBB053952, Methyl 2-methylthiopyrimidine-5-carboxylate, Methyl2-(methylthio)pyrimidine-5-carboxylate, Methyl 2-(methylsulfanyl)pyrimidine-5-carboxylate, SureCN2221944, CTK4H9608, MolPort-000-145-339, ANW-56223, WTI-11625, ZINC12370893, AKOS006345459, AG-F-34875, MCULE-9801619718, PB24623, RP03357, AK-29983, KB-53714, AM20100017, FT-0646164

Molecular Formula: C7H8N2O2SMolecular Weight: 184.215620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: PSYRMEZGAWNWHV-UHFFFAOYSA-N

• 4-Aminophthalide
IUPAC Name: 4-amino-3H-2-benzofuran-1-one | CAS Registry Number: 59434-19-4
Synonyms: 4-amino-3H-isobenzofuran-1-one, AG-G-11815, PubChem22580, SureCN2045834, 4-aminoisobenzofuran-1(3H)-one, CTK5A9949, MolPort-000-882-073, 4-azanyl-3H-2-benzofuran-1-one, 1(3H)-Isobenzofuranone,4-amino-, 1(3H)-Isobenzofuranone, 4-amino-, ANW-45478, RW3118, SBB068251, ZINC02529199, AKOS000278076, QC-2169, AK-41573, 4-AMINO-2-BENZOFURAN-1(3H)-ONE, KB-189365, AM20080753

Molecular Formula: C8H7NO2Molecular Weight: 149.146680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KOIAVJZQMYBLJJ-UHFFFAOYSA-N

• 4-Fluoro-3-methoxyaniline
IUPAC Name: 4-fluoro-3-methoxyaniline | CAS Registry Number: 64465-53-8
Synonyms: Ambap6254, 3-methoxy-4-fluoroaniline, 4-fluoro-3-methoxyaniline, ZINC02567174, CID2774533, TL8003184

Molecular Formula: C7H8FNOMolecular Weight: 141.142923 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XAACOEWSHBIFGJ-UHFFFAOYSA-N


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