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BAST Chemical Company Ltd

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Profile: BAST Chemical Company Ltd, a premier chemical manufacturer of surfactants, specialties and auxiliaries to distributors and agents worldwide service the personal care, home care and leather industries. Founded in 2006, with more than 150 employees, BAST Chemical has earned the reputation as a supplier for exceptional quality, consistency and innovation. We pride ourselves on being able to offer the latest technologies of chemical auxiliaries and specialties. Our staff of sales and technical support is available to help you in selecting the right product for your application as well as to provide you with samples of our products for evaluation. At BAST, we are committed to providing the highest level of customer service, competitive pricing, speedy delivery and a comprehensive, cutting-edge product offering. Our ultimate goal is your satisfaction.

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• 1-(4'-CHLORO-BIPHENYL-3-YL)-ETHANONE
IUPAC Name: 1-[3-(4-chlorophenyl)phenyl]ethanone | CAS Registry Number: 893734-59-3
Synonyms: 1-(4'-Chloro-biphenyl-3-yl)-ethanone, 1-(4'-chloro[1,1-biphenyl]-3-yl)ethanone, 1-[3-(4-chlorophenyl)phenyl]ethanone, ZINC02525611, AC1N3XDJ, CTK6G9691, MolPort-000-928-223, OR7369, 1-(4'-chlorobiphenyl-3-yl)ethanone, AKOS004113864, 1-[3-(4-chlorophenyl)phenyl]ethan-1-one, DB-017310, KB-105774, KB-214522, BB 0220545, 1-(4'-chloro[1,1'-biphenyl]-3-yl)ethanone, 1-[4'-chloro-(1,1-biphenyl)-3-yl]-ethanone

Molecular Formula: C14H11ClOMolecular Weight: 230.689540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MWSJRNGQNFLJTM-UHFFFAOYSA-N

• 3,4-Difluoro-4'-methylbenzhydrol
IUPAC Name: (3,4-difluorophenyl)-(4-methylphenyl)methanol | CAS Registry Number: 842140-57-2
Synonyms: AC1MBXU6, CTK6B7808, AKOS006033769, (3,4-Difluorophenyl)(p-tolyl)methanol, AK408271, OR010091, OR123798, (3,4-difluorophenyl)-(4-methylphenyl)methanol

Molecular Formula: C14H12F2OMolecular Weight: 234.246 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LVAMGOVTYHHEHV-UHFFFAOYSA-N

• 2-(PIPERAZIN-1-YL)-ACETIC ACID N-(2-THIAZOLYL)-AMIDE 2 HCL
IUPAC Name: 2-piperazin-1-yl-N-(1,3-thiazol-2-yl)acetamide;dihydrochloride | CAS Registry Number: 84587-70-2
Synonyms: 2-(piperazin-1-yl)acetic acid n-(2-thiazolyl)amide dihydrochloride, CTK7G8288, MolPort-001-757-209, OR0943, AKOS015996738, AG-A-32875, A840865, 2-piperazin-1-yl-n-thiazol-2-yl-acetamidedihydrochloride, 2-(1-piperazinyl)-N-(2-thiazolyl)acetamide dihydrochloride, 2-(piperazin-1-yl)-n-thiazol-2-yl-acetamidedihydrochloride, 2-piperazin-1-yl-n-thiazol-2-yl-acetamide dihydrochloride, 2-(piperazin-1-yl)-acetic acid n-(2-thiazolyl)-amide 2 hcl, 2-(Piperazin-1-yl)-N-thiazol-2-yl-acetamide dihydrochloride, 2-(piperazin-1-yl)-N-(1,3-thiazol-2-yl)acetamide dihydrochloride, 2-piperazin-1-yl-N-(1,3-thiazol-2-yl)ethanamide dihydrochloride, 2-(piperazin-1-yl)-acetic acid n-(2-thiazolyl)-amide di-hydrochloride

Molecular Formula: C9H16Cl2N4OSMolecular Weight: 299.220540 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: QRLHMVLCECKSEI-UHFFFAOYSA-N

• 5-(BOC-AMINO)-1-PHENYL-PENTAN-1-ONE,(5-OXO-5-PHENYL-PENTYL)-CARBAMIC ACID TERT-BUTYL ESTER
IUPAC Name: tert-butyl N-(5-oxo-5-phenylpentyl)carbamate | CAS Registry Number: 116437-42-4
Synonyms: 5-(N-Boc-amino)pentanophenone, MolPort-000-165-593, Boc-5-amino-1-phenyl-pentan-1-one, ZINC08700982, AC-20530

Molecular Formula: C16H23NO3Molecular Weight: 277.358720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DJDVCMJMJKSDTB-UHFFFAOYSA-N

• 2,6-DIBROMO-3,5-DICHLORO-4-FLUOROANILINE
IUPAC Name: 2,6-dibromo-3,5-dichloro-4-fluoroaniline | CAS Registry Number: 1160573-76-1
Synonyms: 2,6-Dibromo-3,5-dichloro-4-fluoroaniline, ZINC36532706

Molecular Formula: C6H2Br2Cl2FNMolecular Weight: 337.799183 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QNZIDLFPKIGVCV-UHFFFAOYSA-N

• 3-BroMo-4-iodobenzotrifluoride
IUPAC Name: 2-bromo-1-iodo-4-(trifluoromethyl)benzene

Molecular Formula: C7H3BrF3IMolecular Weight: 350.902400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LFHYCNXVEWPYAB-UHFFFAOYSA-N

• 4-(4-CARBOXYPHENYL)-3-THIOSEMICARBAZIDE
IUPAC Name: 4-(aminocarbamothioylamino)benzoic acid | CAS Registry Number: 206559-48-0
Synonyms: 4-(4-Carboxyphenyl)-3-thiosemicarbazide, AC1MBVQ8, CTK1A1371, MolPort-000-152-688, SBB017773, AKOS015836344, 4-(aminocarbamothioylamino)benzoic acid, AG-E-51553, 4-(azanylcarbamothioylamino)benzoic acid, 4-[(aminocarbamothioyl)amino]benzoic acid, KB-83625, 4-[(hydrazinothioxomethyl)amino]benzoic acid, FT-0643930, ST51041866, Benzoicacid, 4-[(hydrazinylthioxomethyl)amino]-, A814780, I09-2373, 4-[[hydrazinyl(sulfanylidene)methyl]amino]benzoic acid, Benzoicacid, 4-[(hydrazinothioxomethyl)amino]- (9CI);4-[(Hydrazinocarbonothioyl)amino]benzoic acid;4-(4-Carboxyphenyl)-3-thiosemicarbazide;

Molecular Formula: C8H9N3O2SMolecular Weight: 211.240960 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: DKMVMRDKDAUDOS-UHFFFAOYSA-N

• 3-Chloro-2-nitrobenzoic acid
IUPAC Name: 3-chloro-2-nitrobenzoic acid | CAS Registry Number: 4771-47-5
Synonyms: Ambap212, 3-CHLORO-2-NITROBENZOIC ACID, 275883_ALDRICH, Benzoic acid, 3-chloro-2-nitro-, EINECS 225-313-1, TL806196, InChI=1/C7H4ClNO4/c8-5-3-1-2-4(7(10)11)6(5)9(12)13/h1-3H,(H,10,11

Molecular Formula: C7H4ClNO4Molecular Weight: 201.563960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VCHSXYHBMFKRBK-UHFFFAOYSA-N

• 2,5-DIMETHYLTHIOANISOLE
IUPAC Name: 1,4-dimethyl-2-methylsulfanylbenzene | CAS Registry Number: 66623-67-4
Synonyms: 2,5-Dimethylthioanisole, ST51041990, ZINC02511082, AC1MBYNZ, SCHEMBL3376143, CTK7B4838, 1,4-dimethyl-2-methylthiobenzene, 2,5-dimethylphenyl methyl sulfide, GUMBTPYGNZMDCU-UHFFFAOYSA-N, MolPort-000-154-954, 1,4-dimethyl-2-methylsulfanylbenzene, 2,5-Dimethylbenzenethiol, S-methyl-, AKOS006242903

Molecular Formula: C9H12SMolecular Weight: 152.256580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: GUMBTPYGNZMDCU-UHFFFAOYSA-N

• 3,5-Bis(trifluoromethyl)phenylglyoxylamide
IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-2-oxoacetamide | CAS Registry Number: 887268-11-3
Synonyms: PC2288, 2-(3,5-Bis(trifluoromethyl)phenyl)-2-oxoacetamide, 2-[3,5-bis(trifluoromethyl)phenyl]-2-oxoacetamide, 3,5-bis(trifluoromethyl)phenylglyoxyamide, CTK7F5929, ZINC2540145, ZX-AP005296, MFCD04972684, ZINC02540145, AKOS027385682, AK409780, OR010321, OR172160, 3,5-bis-trifluoromethyl-phenyl-glyoxylic acid amide

Molecular Formula: C10H5F6NO2Molecular Weight: 285.145 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: UNYQKKSXPJEHDQ-UHFFFAOYSA-N

• 2-MERCAPTO-3-(3-METHOXY-PROPYL)-3 H-QUINAZOLIN-4-ONE
IUPAC Name: 3-(3-methoxypropyl)-2-sulfanylidene-1H-quinazolin-4-one | CAS Registry Number: 216880-47-6
Synonyms: 2-Mercapto-3-(3-methoxy-propyl)-3H-quinazolin-4-one, 2-mercapto-3-(3-methoxypropyl)quinazolin-4(3H)-one, 3-(3-methoxypropyl)-2-sulfanyl-3-hydroquinazolin-4-one, 3-(3-methoxypropyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, Maybridge1_000264, AC1M4TV4, AC1Q4FO9, CTK4E7494, HMS542D22, CCG-430, MolPort-001-997-464, MolPort-002-120-890, BTB01195, BBL001594, CCG-50742, SBB085321, STL080829, ZINC02946703, AKOS000300603, AKOS001079851

Molecular Formula: C12H14N2O2SMolecular Weight: 250.316760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KMPHWZNAXDTNMH-UHFFFAOYSA-N

• 5-BROMO-2-(2-BROMO-4-METHYLPHENOXY)PYRIMIDINE
IUPAC Name: 5-bromo-2-(2-bromo-4-methylphenoxy)pyrimidine | CAS Registry Number: 1017789-01-3
Synonyms: 5-bromo-2-(2-bromo-4-methylphenoxy)pyrimidine, CTK4A0230, ZINC16696645, AKOS013188080, AG-D-09234, KB-244805, A-2123

Molecular Formula: C11H8Br2N2OMolecular Weight: 344.002020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BNYGLIORSSWISH-UHFFFAOYSA-N

• 3-CARBOXY-4-FLUOROPHENYLISOTHIOCYANATE
IUPAC Name: 2-fluoro-5-isothiocyanatobenzoic acid | CAS Registry Number: 1027513-02-5
Synonyms: 3-Carboxy-4-fluorophenylisothiocyanate, AKOS006326288, KB-235419

Molecular Formula: C8H4FNO2SMolecular Weight: 197.186263 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: CIJGKIHJSPOAFQ-UHFFFAOYSA-N

• 2-Bromo-6-fluoro-4-nitroaniline
IUPAC Name: 2-bromo-6-fluoro-4-nitroaniline | CAS Registry Number: 455-58-3
Synonyms: ACMC-209k3c, AGN-PC-000ZOC, SureCN1464693, CTK8B1715, MolPort-002-500-824, ANW-30310, ZINC15443765, Benzenamine, 2-bromo-6-fluoro-4-nitro-, KB-229095

Molecular Formula: C6H4BrFN2O2Molecular Weight: 235.010563 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: YAQFGXYPGJATMT-UHFFFAOYSA-N

• 3-(3-CARBAZOL-9-YL-2-HYDROXY-PROPYLAMINO)-PROPAN-1-OL
IUPAC Name: [(2S)-3-carbazol-9-yl-2-hydroxypropyl]-(3-hydroxypropyl)azanium | CAS Registry Number: 324773-66-2
Synonyms: ZINC01818228, CID1598768

Molecular Formula: C18H23N2O2+Molecular Weight: 299.387420 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: XJSHYABCAWRNDE-AWEZNQCLSA-O

• 2-Aminobenzoic acid naphthalen-2-yl ester
IUPAC Name: naphthalen-2-yl 2-aminobenzoate | CAS Registry Number: 63449-68-3
Synonyms: 2-Naphthyl anthranilate, beta-Naphthyl anthranilate, 2-Naphthyl O-aminobenzoate, 2-Aminobenzoyl 2-naphthalenol, FEMA No. 2767, 2-Naphthalenol, 2-aminobenzoate, Anthranilic acid, 2-naphthyl ester, EINECS 264-155-8, ZINC01850213, 2-Naphthalenol, 2-aminobenzoyl ester, Anthranilic acid, beta-naphthyl ester

Molecular Formula: C17H13NO2Molecular Weight: 263.290620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YJFCKXVXEKHSEC-UHFFFAOYSA-N

• 3-(3-THIENYL)QUINOLINE
IUPAC Name: 3-thiophen-3-ylquinoline | CAS Registry Number: 56421-85-3
Synonyms: 3-(3-Thienyl)quinoline, CHEMBL304310, 3-thiophen-3-ylquinoline, 3-(3-thiophenyl)quinoline, 3-Thiophen-3-yl-quinoline, DNC003832, AKOS004118779, BB 0223675, A803527

Molecular Formula: C13H9NSMolecular Weight: 211.282260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZWOOWBWBVMAYGL-UHFFFAOYSA-N

• 4-(Ethylthio)-3'-fluorobenzhydrol
IUPAC Name: (4-ethylsulfanylphenyl)-(3-fluorophenyl)methanol | CAS Registry Number: 844683-71-2
Synonyms: AC1MBZ7A, CTK6G4875, AKOS027385546, AK408307, OR018883, OR140733, KB-187532, (4-(Ethylthio)phenyl)(3-fluorophenyl)methanol, (4-ethylsulfanylphenyl)-(3-fluorophenyl)methanol

Molecular Formula: C15H15FOSMolecular Weight: 262.342 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QEMSNYIOMVSNKZ-UHFFFAOYSA-N

• 1-[2-(DIPROPYLAMINO)ETHYL]PIPERAZINE
IUPAC Name: N-(2-piperazin-1-ylethyl)-N-propylpropan-1-amine | CAS Registry Number: 496808-01-6
Synonyms: 1-(2-dipropylaminoethyl)piperazine, 1-(2-Dipropylaminoethyl)-Piperazine, 1-[2-(dipropylamino)ethyl]piperazine, 1-(2-di-n-propylaminoethyl)piperazine, ST50407645, (2-piperazinylethyl)dipropylamine, ACMC-1APVN, AC1MC5CC, AC1Q2XQH, SureCN972101, N-(2-piperazin-1-ylethyl)-N-propyl-propan-1-amine, CTK4J1530, MolPort-000-155-030, 1[2-(Dipropylamino)ethyl]piperazine, SBB079103, 1-Piperazineethanamine,N,N-dipropyl-, AKOS002663695, AG-F-66290, MCULE-9320267756, [2-(piperazin-1-yl)ethyl]dipropylamine

Molecular Formula: C12H27N3Molecular Weight: 213.362880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NQRQMDMOABSDEK-UHFFFAOYSA-N

• 5-BROMO-2-(2-CHLOROPHENOXY)PYRIMIDINE
IUPAC Name: 5-bromo-2-(2-chlorophenoxy)pyrimidine | CAS Registry Number: 73254-96-3
Synonyms: 5-Bromo-2-(2-chlorophenoxy)pyrimidine, AG-G-89471, CTK5D7679, ZINC16696655, AKOS013181834, Pyrimidine,5-bromo-2-(2-chlorophenoxy)-, KB-244807, A-2126

Molecular Formula: C10H6BrClN2OMolecular Weight: 285.524440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XSNINFUWANOXMA-UHFFFAOYSA-N

• 2-DIFLUOROMETHOXY-4-FLUORO-PHENYLAMINE
IUPAC Name: 2-(difluoromethoxy)-4-fluoroaniline | CAS Registry Number: 832740-98-4
Synonyms: 2-(difluoromethoxy)-4-fluoroaniline, 2-Difluoromethoxy-4-fluoro-phenylamine, SBB022172, 2-(difluoromethoxy)-4-fluorophenylamine, ZINC02537714, SCHEMBL2313110, CTK7B7289, MolPort-000-163-901, STK349646, AKOS000142639, MCULE-1979243636, NE13000, RT-019002, ST45092487, EN300-91888

Molecular Formula: C7H6F3NOMolecular Weight: 177.123850 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: YNDSRZNRALJMIX-UHFFFAOYSA-N

• 3,4-Dihydroxy-6-nitrobenzaldehyde
IUPAC Name: 4,5-dihydroxy-2-nitrobenzaldehyde | CAS Registry Number: 73635-75-3
Synonyms: 4,5-dihydroxy-2-nitrobenzaldehyde, CHEMBL142876, 6-NITROPROTOCATECHUALDEHYDE, SBB061894, AC1MWZF9, SCHEMBL5610655, CTK7H8998, MolPort-000-154-550, SDAAKNQPCGUCNH-UHFFFAOYSA-N, 4, 5-dihydroxy-2-nitrobenzaldehyde, AKOS006228638, MCULE-4264087517, AK167191, KB-234041, ST50953412

Molecular Formula: C7H5NO5Molecular Weight: 183.118300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: SDAAKNQPCGUCNH-UHFFFAOYSA-N

• 5-(2-Methoxyphenyl)-4h-1,2,4-Triazol-3-Amine
IUPAC Name: 5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-amine | CAS Registry Number: 303192-36-1
Synonyms: 5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-amine, 5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-amine, SBB002714, ST000609, ZERO/008115, AC1LCR79, SureCN1528336, SureCN4046314, TimTec1_000015, Oprea1_134988, Oprea1_287233, Oprea1_643539, MLS000718391, CHEMBL499028, CTK4G4972, MolPort-000-308-370, MolPort-002-013-644, BB_SC-9476, HMS1534A15, HMS2685P10

Molecular Formula: C9H10N4OMolecular Weight: 190.201900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: VPYFFIZLDRLOFQ-UHFFFAOYSA-N

• 2-(4-Cyanophenoxy)-2-methylpropanoicacid (CAS: 79925-19-9)
• 3-METHOXYCARBONYL-4-FLUOROPHENYLISOTHIOCYANATE
IUPAC Name: methyl 2-fluoro-5-isothiocyanatobenzoate | CAS Registry Number: 1027513-51-4
Synonyms: 3-Methoxycarbonyl-4-fluorophenylisothiocyanate, ZINC31829478

Molecular Formula: C9H6FNO2SMolecular Weight: 211.212843 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: WLFBHFNUPHYHIR-UHFFFAOYSA-N

• 4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}benzenol
IUPAC Name: 4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenol | CAS Registry Number: 321432-62-6
Synonyms: 4-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}phenol, 1J-042, 4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}benzenol, 4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-methyl}benzenol, 4-([3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl)benzenol, 4-([3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl)phenol, 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]benzenol, 4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenol, ZINC00167887, AC1MD3IM, MLS000755182, SCHEMBL5687500, CHEMBL1388067, CTK7J9289, MolPort-000-153-652, HMS2631M07, AKOS005069821, MCULE-6993982857, RP15722, chlorotrifluoromethylpyridinylmethylbenzenol

Molecular Formula: C13H9ClF3NOMolecular Weight: 287.664870 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: WBOFSICGJKUPTH-UHFFFAOYSA-N

• 7-Methoxy-1-Methyl-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol
IUPAC Name: 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol | CAS Registry Number: 76419-97-1
Synonyms: Salsoline, 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol, 7-Methoxy-1-methyl-1,2,3,4-tetrahydro-isoquinolin-6-ol, ST023754, 89-31-6, 101467-40-7, (+,-)-Salsoline, Spectrum_001463, SpecPlus_000614, AC1L2GJK, AC1Q4EZZ, Spectrum2_000540, Spectrum3_001113, Spectrum4_001951, Spectrum5_000887, ACMC-20m4i8, SureCN1009940, UNII-T246JT0V8K, Oprea1_746478, BSPBio_002846

Molecular Formula: C11H15NO2Molecular Weight: 193.242300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: YTPRLBGPGZHUPD-UHFFFAOYSA-N

• 5-CHLORO-2-NITRO-4-TRIFLUOROMETHOXY-PHENYLAMINE
IUPAC Name: 5-chloro-2-nitro-4-(trifluoromethoxy)aniline | CAS Registry Number: 914637-23-3
Synonyms: 5-chloro-2-nitro-4-(trifluoromethoxy)aniline, 5-Chloro-2-nitro-4-trifluoromethoxy-phenylamine, 3-chloro-6-nitro-4-(trifluoromethoxy)aniline, AG-H-75439, 2-Amino-4-chloro-5-(trifluoromethoxy)nitrobenzene, 4-Amino-2-chloro-5-nitro-alpha,alpha,alpha-trifluoroanisole, 5-chloranyl-2-nitro-4-(trifluoromethyloxy)aniline, PubChem4341, SureCN1192895, CTK5G9670, MolPort-001-773-027, ANW-48838, CL8925, PC2821, SBB101771, ZINC15442347, AKOS015919595, LS10026, YF10050, AK-76670

Molecular Formula: C7H4ClF3N2O3Molecular Weight: 256.566470 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: NFVAJIPVDHPZKP-UHFFFAOYSA-N

• 4-BROMO-2-CHLORO-6-FLUOROANILINE
IUPAC Name: 4-bromo-2-chloro-6-fluoroaniline | CAS Registry Number: 885453-49-6
Synonyms: 4-Bromo-2-chloro-6-fluoroaniline, SureCN1100748, ZINC15444532, KB-189670

Molecular Formula: C6H4BrClFNMolecular Weight: 224.458063 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BMWOENOCPPYRRS-UHFFFAOYSA-N

• 1-IODO-8H-PERFLUOROOCTANE (CAS: 79162-64-6)
• 3-(N-Acetyl-N-ethylamino)pyrrolidine
IUPAC Name: N-ethyl-N-pyrrolidin-3-ylacetamide | CAS Registry Number: 115445-29-9
Synonyms: AmbTiA80223, MolPort-000-150-833, N-ethyl-N-pyrrolidin-3-yl-acetamide, CID2756274, A1113, A80223

Molecular Formula: C8H16N2OMolecular Weight: 156.225440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NHMWGGURJSUYGU-UHFFFAOYSA-N

• 3-Chlorobenzaldehyde
IUPAC Name: 3-chlorobenzaldehyde | CAS Registry Number: 587-04-2
Synonyms: m-Chlorobenzaldehyde, 3-CHLOROBENZALDEHYDE, Benzaldehyde, 3-chloro-, Benzaldehyde, m-chloro-, meta-Chlorobenzaldehyde, C23403_ALDRICH, Benzaldehyde, m-chloro- (8CI), Benzaldehyde, 3-chloro- (9CI), CID11477, CPD-8778, NSC60107, EINECS 209-596-9, CPD-10660, NSC 60107, ZINC00164556, AI3-10532, ST5213346, TL8003756, InChI=1/C7H5ClO/c8-7-3-1-2-6(4-7)5-9/h1-5

Molecular Formula: C7H5ClOMolecular Weight: 140.567000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SRWILAKSARHZPR-UHFFFAOYSA-N

• 5-BROMO-2,3-DICHLOROTOLUENE
IUPAC Name: 5-bromo-1,2-dichloro-3-methylbenzene | CAS Registry Number: 204930-38-1
Synonyms: 5-Bromo-2,3-dichlorotoluene, 5-bromo-1,2-dichloro-3-methylbenzene, AC1LD2AJ, SureCN981236, benzene, 5-bromo-1,2-dichloro-3-methyl-, KB-196969, InChI=1/C7H5BrCl2/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,1H

Molecular Formula: C7H5BrCl2Molecular Weight: 239.924600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ICUYBMLOJZFUKF-UHFFFAOYSA-N

• 4-Ethyl-3'-fluorobenzhydrol
IUPAC Name: (4-ethylphenyl)-(3-fluorophenyl)methanol | CAS Registry Number: 844683-70-1
Synonyms: AC1MBZ21, SCHEMBL8064901, CTK6D1333, AKOS010013802, (4-ethylphenyl)(3-fluorophenyl)methanol, (4-ethylphenyl)-(3-fluorophenyl)methanol, AK513882, OR018401, OR132466

Molecular Formula: C15H15FOMolecular Weight: 230.282 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WEGROKZPWGMYSN-UHFFFAOYSA-N

• 2H-1,3-Oxazine-3(4H)-Carboxylic Acid, Dihydro-5-Methyl-2,6-Dioxo-, 1,1-Dimethylethyl Ester
IUPAC Name: tert-butyl 5-methyl-2,6-dioxo-1,3-oxazinane-3-carboxylate | CAS Registry Number: 357610-32-3
Synonyms: N-Boc-beta-alanine-alpha-methyl-N-carboxyanhydride, N-Boc-belta-alanine-alpha-methyl-N-carboxyanhydride, 5-methyl-2,6-dioxo-[1,3]oxazinane-3-carboxylic acid tert-butyl ester, CTK8F0391, Tert-butyl 5-methyl-2,6-dioxo-1,3-oxazinane-3-carboxylate, A13490

Molecular Formula: C10H15NO5Molecular Weight: 229.229800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: ICAVRDITSQWMAM-UHFFFAOYSA-N

• 5-NITRO-2-PIPERIDIN-1-YL-BENZOIC ACID
IUPAC Name: 5-nitro-2-piperidin-1-ylbenzoate | CAS Registry Number: 42106-50-3
Synonyms: ZINC03886314, CID7062908

Molecular Formula: C12H13N2O4-Molecular Weight: 249.242620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: BJFMTEPHRNENIO-UHFFFAOYSA-M

• 3-Pyridinamine, 2-Phenyl-, Hydrochloride (1:1)
IUPAC Name: 2-phenylpyridin-3-amine;hydrochloride | CAS Registry Number: 219121-62-7
Synonyms: 2-phenylpyridin-3-amine Hydrochloride, 3-amino-2-phenyl-pyridine hydrochloride, 3-Amino-2-phenyl-pyridine HCl, 3-Amino-2-phenyl-pyridinehydrochloride, 3-amino-2-phenyl-pyridinium, chloride, 3-Amino-2-phenylpyridine hydrochloride, 2-phenyl-pyridin-3-ylamine hydrochloride, AC1MC7C0, SureCN6143189, 3-amino-2-phenylpyridine hcl, CTK8E4361, MolPort-002-499-682, AB16242, MCULE-9374042554, 2-phenylpyridin-3-ylamine hydrochloride, AK151211, KB-180544, A-1771, A13958

Molecular Formula: C11H11ClN2Molecular Weight: 206.671440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: WUUPIONDVKXCBK-UHFFFAOYSA-N

• 1,1-Diphenyl-2-pyridin-4-yl-ethanol
IUPAC Name: 1,1-diphenyl-2-pyridin-4-ylethanol | CAS Registry Number: 3197-49-7
Synonyms: ST51042324, NSC191300, Oprea1_119063, SureCN10896574, MLS001243514, AC1L727F, CTK4G8007, 4-Pyridineethanol, a,a-diphenyl-, HMS2211I20, ZINC13281599, 1,1-diphenyl-2-pyridin-4-ylethanol, AG-F-06717, NSC-191300, 1,1-diphenyl-2-(4-pyridyl)ethan-1-ol, SMR000841593, 1,1-Diphenyl-1-hydroxy-2-(4-pyridyl)ethane;1,1-Diphenyl-2-(4-pyridyl)ethanol; NSC 191300; a,a-Diphenyl-4-pyridineethanol; a,a-Diphenyl-b-(4-pyridyl)ethanol

Molecular Formula: C19H17NOMolecular Weight: 275.344380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: APMOETXMGRRPIQ-UHFFFAOYSA-N

• 1-Benzyl-3-azetidinecarboxylic acid
IUPAC Name: 1-benzylazetidine-3-carboxylic acid | CAS Registry Number: 854431-12-2
Synonyms: 1-benzylazetidine-3-carboxylic acid, 1-Benzyl-azetidine-3-carboxylic acid, 94985-27-0, 1-benzyl-3-azetidinecarboxylic acid, 1-Benzyl-azetidine-3-carboxylicacid, SBB053434, AG-H-43772, AC1MKPVG, BAS 11771469, SureCN565212, AC1Q74PD, 1-Benzyl-3-carboxyazetidine, CTK3I5636, MolPort-000-002-425, 1-Benzylazetane-3-carboxylic acid, HMS1697O12, HT797, ACT01823, n-benzylazetidine-3-carboxylic acid, ANW-44568

Molecular Formula: C11H13NO2Molecular Weight: 191.226420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XVFKOLZJNKMHNL-UHFFFAOYSA-N

• 3,4-Dichloro-5-fluorobromobenzene
IUPAC Name: 5-bromo-1,2-dichloro-3-fluorobenzene

Molecular Formula: C6H2BrCl2FMolecular Weight: 243.888483 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NWRZTOGDTNCJHP-UHFFFAOYSA-N

• 2-(trifluoromethyl)Thiophene
IUPAC Name: 2-(trifluoromethyl)thiophene | CAS Registry Number: 86093-76-7
Synonyms: 2-(Trifluoromethyl)thiophene, 2-Trifluoromethylthiophene, SBB055749, AG-H-47320, ZINC02541355, SureCN156754, AC1MC3H2, Thiophene,2-(trifluoromethyl)-, CTK5F6250, MolPort-000-159-173, RW1155, AKOS005257981, QC-2750, AK-36592, KB-26265, FT-0081102, FT-0651035, A21046, 2-(Perfluoromethyl)thiophene;2-(Trifluoromethyl)thiophene;2-(Trifluoromethyl)thiophene 95%;

Molecular Formula: C5H3F3SMolecular Weight: 152.137530 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: FKGYFHXXFBKLNH-UHFFFAOYSA-N

• 6-t-Butyl-4-piperazinothieno[3,2-d]pyrimidine
IUPAC Name: 6-tert-butyl-4-piperazin-1-ylthieno[3,2-d]pyrimidine | CAS Registry Number: 683274-69-3
Synonyms: 6-tert-butyl-4-piperazinothieno[3,2-d]pyrimidine, AC1MBVLR, CTK6A6237, MolPort-000-152-619, HC210306, KB-199669, RT-021114, 6-tert-butyl-4-piperazin-1-ylthieno[3,2-d]pyrimidine, 1-{6-tert-butylthieno[3,2-d]pyrimidin-4-yl}piperazine, 3B3-009692

Molecular Formula: C14H20N4SMolecular Weight: 276.400400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: RTTFMVNTEYTYHA-UHFFFAOYSA-N

• 2-Methyltetrahydrothiophene
IUPAC Name: (2R)-2-methylthiolane | CAS Registry Number: 1795-09-1
Synonyms: Thiophene, tetrahydro-2-methyl-, ZINC02039245, CID643053, InChI=1/C5H10S/c1-5-3-2-4-6-5/h5H,2-4H2,1H

Molecular Formula: C5H10SMolecular Weight: 102.197900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: AJPGNQYBSTXCJE-RXMQYKEDSA-N

• 1-Benzofuran-2-carbohydrazide
IUPAC Name: 1-benzofuran-2-carbohydrazide

Molecular Formula: C9H8N2O2Molecular Weight: 176.172020 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: SYUDUCVHYKSSNV-UHFFFAOYSA-N

• (3S)-(-)-3-(Trifluoroacetamido)Pyrrolidine Hydrochloride
IUPAC Name: 2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide hydrochloride | CAS Registry Number: 132883-43-3
Synonyms: AmbtgT80172, MolPort-000-158-777, (S)-3-(Trifluoroacetamido)pyrrolidine HCl, T1366, T80172, (3S)-(-)-3-(Trifluoroacetamido)pyrrolidine Hydrochloride

Molecular Formula: C6H10ClF3N2OMolecular Weight: 218.604610 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: CMZSIQCZAFAEDH-WCCKRBBISA-N

• (S)-1-(3-BROMO-1,4-DIMETHOXY-NAPHTHALEN-2-YL)-PROPAN-2-OL
IUPAC Name: (2S)-1-(3-bromo-1,4-dimethoxynaphthalen-2-yl)propan-2-ol | CAS Registry Number: 404909-58-6
Synonyms: (s)-1-(3-bromo-1,4-dimethoxy-naphthalen-2-yl)-propan-2-ol, CTK4I3171, ZINC16697096, AG-F-43558, (s)-1-(3-bromo-1,4-dimethoxynaphthalen-2-yl)propan-2-ol, (S)-1-(3-Bromo-1,4-dimethoxynaphthalen-2-yl) propan-2-ol, 2-Naphthaleneethanol,3-bromo-1,4-dimethoxy-a-methyl-, (aS)-, (S)-1-(3-BROMO-1,4-DIMETHOXY-NAPHTHALEN-2-YL)-PROPAN-2-OL;(S)-1-(3-Bromo-1,4-dimethoxy-naphthalen-2-yl)-

Molecular Formula: C15H17BrO3Molecular Weight: 325.197680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZGZBVRRPMNQEDK-VIFPVBQESA-N

• 1-Adamantyl Isothiocyanate
IUPAC Name: 1-isothiocyanatoadamantane | CAS Registry Number: 4411-26-1
Synonyms: 1-Adamantyl isothiocyanate, 143367_ALDRICH, MolPort-000-150-893, MolPort-007-989-216, NSC529585, HMS1786I06, EINECS 224-564-4, CID107279, Isothiocyanic Acid 1-Adamantyl Ester, STK802177, ZINC00154492, AI3-61593, I0485, LT00007840, Tricyclo(3.3.1.1'3,7)dec-1-yl isocyanate, 1-isothiocyanatotricyclo[3.3.1.1~3,7~]decane, Tricyclo(3.3.1.1(3,7))decane, 1-isothiocyanato-

Molecular Formula: C11H15NSMolecular Weight: 193.308500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YPKFLUARLJRPQM-UHFFFAOYSA-N

• 4,5-Difluoro-2-Methylindole
IUPAC Name: 4,5-difluoro-2-methyl-1H-indole | CAS Registry Number: 85462-60-8
Synonyms: 4,5-Difluoro-2-methylindole, 4,5-difluoro-2-methyl-1h-indole, 2-METHYL-4,5-DIFLUOROINDOLE, AG-H-43881, 1H-INDOLE, 4,5-DIFLUORO-2-METHYL-, PubChem9373, AGN-PC-00LCUU, SureCN12475636, CTK5F5060, MolPort-001-782-333, ACT10435, ANW-48476, ZINC02512982, AKOS006346717, AB16306, AC-6648, BD22863, NF10243, AK-26368, BR-26368

Molecular Formula: C9H7F2NMolecular Weight: 167.155386 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LTYZOUVRTGPHQM-UHFFFAOYSA-N

• 3-ETHYL-2-PENTANONE
IUPAC Name: 3-ethylpentan-2-one | CAS Registry Number: 6137-03-7
Synonyms: 3-Ethyl-2-pentanone, 2-Pentanone, 3-ethyl-, 3-Ethylpentan-2-one, Ambpe2006735, EINECS 228-112-7, MolPort-001-795-028, CID80224

Molecular Formula: C7H14OMolecular Weight: 114.185460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: GSNKRSKIWFBWEG-UHFFFAOYSA-N

• 4-(3-Bromo-phenyl)-thiazol-2-ylamine
IUPAC Name: 4-(3-bromophenyl)-1,3-thiazol-2-amine

Molecular Formula: C9H7BrN2SMolecular Weight: 255.134280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PDNKBFMOKUBDDR-UHFFFAOYSA-N


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