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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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• 4-Bromothiobenzamide
IUPAC Name: 4-bromobenzenecarbothioamide | CAS Registry Number: 26197-93-3
Synonyms: 4-bromobenzenecarbothioamide, benzenecarbothioamide, 4-bromo-, NSC281618, ZINC01563992, T5220333, InChI=1/C7H6BrNS/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10

Molecular Formula: C7H6BrNSMolecular Weight: 216.098240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 0

InChIKey: AIPANIYQEBQYGC-UHFFFAOYSA-N

• 1-Boc-4-(2-carboxyphenyl)piperazine
IUPAC Name: 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid | CAS Registry Number: 444582-90-5
Synonyms: 1-(2-carboxyphenyl)-4-Boc piperazine, 2-(4-boc-piperazin-1-yl)benzoic acid, 2-(4-(tert-butoxycarbonyl)piperazin-1-yl)benzoic acid, 2-[4-(tert-butoxycarbonyl)piperazin-1-yl]benzoic acid, SBB066954, 2-(4-Boc-piperazin-1-yl)benzoicacid, AG-F-56056, 4-(2-carboxyphenyl)piperazine, 1-boc protected, 2-[4-(tert-butoxycarbonyl)piperazino]benzoic acid, 1-(2-carboxy-phenyl)-piperazine-4-carboxylic acid tert-butyl ester, 1-piperazinecarboxylic acid, 4-(2-carboxyphenyl)-, 1-(1,1-dimethylethyl) ester, 2-{4-[(tert-butyl)oxycarbonyl]piperazinyl}benzoic acid, 2-(4-[(TERT-BUTYL)OXYCARBONYL]PIPERAZINYL)BENZOIC ACID, AC1MBUCD, PubChem12219, SureCN110679, CTK4I8219, MolPort-000-142-902, 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic Acid, RW3808

Molecular Formula: C16H22N2O4Molecular Weight: 306.356880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: SSBZXKJSOFJQBW-UHFFFAOYSA-N

• 4-Hydroxy-2-methylbenzaldehyde
IUPAC Name: 4-hydroxy-2-methylbenzaldehyde | CAS Registry Number: 41438-18-0
Synonyms: 4-Hydroxy-2-methyl-benzaldehyde, AG-F-47440, PubChem3910, 4-Hydroxy-o-tolualdehyde, AC1L9XY6, AC1Q2J7Z, KSC494S2T, CTK3J4929, MolPort-001-783-195, ACT05024, Benzaldehyde, 4-hydroxy-2-methyl-, AC-896, ANW-51101, SBB064192, ZINC00336941, AKOS006344962, LS11394, RP20264, RP20266, AK-24767

Molecular Formula: C8H8O2Molecular Weight: 136.147920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JDWWIEFMFPWBST-UHFFFAOYSA-N

• 3-Acetylpyridine
IUPAC Name: 1-pyridin-3-ylethanone | CAS Registry Number: 350-03-8
Synonyms: 3-Acetopyridine, 3-ACETYLPYRIDINE, beta-Acetylpyridine, Methyl pyridyl ketone, Ketone, methyl 3-pyridyl, Methyl 3-pyridyl ketone, Pyridine, 3-acetyl-, 3-Pyridyl methyl ketone, Ethanone, 1-(3-pyridinyl)-, 1-(3-Pyridinyl)ethanone, .beta.-Acetylpyridine, 1-(3-Pyridenyl)ethanone, 1-pyridin-3-ylethanone, PYRIDINE,3-ACETYL, C7H7NO, FEMA No. 3424, WLN: T6NJ CV1, NCIOpen2_001469, A21207_ALDRICH, Methyl .beta.-pyridyl ketone

Molecular Formula: C7H7NOMolecular Weight: 121.136580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WEGYGNROSJDEIW-UHFFFAOYSA-N

• 5,6-Dimethoxy-2-(piperidin-4-Yl)methylene-Indan-1-One
IUPAC Name: 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one | CAS Registry Number: 120014-30-4
Synonyms: 5,6-Dimethoxy-2-piperidin-4-ylmethyl-indan-1-one, 5,6-dimethoxy-2-(piperidin-4-yl)methylindan-1-one, 5,6-Dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-one, 5,6-dimethoxy-2-(piperidin-4-yl)methyl-indan-1-one, UNII-D84X9FAD1Y, SureCN1114944, CHEMBL339630, CHEBI:308602, MolPort-005-932-598, ANW-45501, AKOS015919479, AG-A-31585, AK-24696, BR-24696, 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one

Molecular Formula: C17H23NO3Molecular Weight: 289.369420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PGBZORAISITZTF-UHFFFAOYSA-N

• 3-Piperazin-1ylpyrazine-2-carbonitrile
IUPAC Name: 3-piperazin-1-ylpyrazine-2-carbonitrile | CAS Registry Number: 306935-30-8
Synonyms: 3-piperazin-1-ylpyrazine-2-carbonitrile, 3-(Piperazin-1-yl)pyrazine-2-carbonitrile, 2-cyano-3-(piperazin-1-yl)pyrazine, 6620-19-5, AC1MC2OQ, SureCN3453428, Oprea1_570871, CTK4G5634, MolPort-000-158-344, 3-Piperazinopyrazine-2-carbonitrile, 3-piperazinylpyrazine-2-carbonitrile, OR0314, SBB090972, AKOS009158753, AG-F-01331, RP03660, 3-(1-piperazinyl)-2-pyrazinecarbonitrile, AK-45569, KB-33181, 2-Pyrazinecarbonitrile,3-(1-piperazinyl)-

Molecular Formula: C9H11N5Molecular Weight: 189.217140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: WPPOBKHQDPIZPS-UHFFFAOYSA-N

• 2,3-Dimethoxybenzyl isothiocyanate
IUPAC Name: 1-(isothiocyanatomethyl)-2,3-dimethoxybenzene | CAS Registry Number: 34964-55-1
Synonyms: ZINC02528108, CID141939, 1-(Isothiocyanatomethyl)-2,3-dimethoxybenzene

Molecular Formula: C10H11NO2SMolecular Weight: 209.264840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HLXLDIINPAOCAT-UHFFFAOYSA-N

• 1-[4-(Dimethylamino)phenyl]-2-thiourea
IUPAC Name: [4-(dimethylamino)phenyl]thiourea | CAS Registry Number: 22283-43-8
Synonyms: MLS000584132, [4-[Dimethylamino]phenyl]thiourea, EINECS 244-891-6, 1-(p-(Dimethylamino)phenyl)thiourea, N-[4-(Dimethylamino)phenyl]thiourea, ZINC00225886, Thiourea, [4-(dimethylamino)phenyl]-, SMR000203295, 10N-009

Molecular Formula: C9H13N3SMolecular Weight: 195.284620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: IETJMRDFWVXWMR-UHFFFAOYSA-N

• 2-Amino-6-fluoro-3-nitrobenzoic acid ethyl ester
IUPAC Name: ethyl 2-amino-6-fluoro-3-nitrobenzoate | CAS Registry Number: 150368-37-9
Synonyms: Ethyl 2-amino-6-fluoro-3-nitrobenzoate, 2-Amino-6-fluoro-3-nitrobenzoicacidethylEster, Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester, Benzoic acid,2-amino-6-fluoro-3-nitro-, ethyl ester, ZINC04240293, AC1MBTKB, PubChem14263, ACMC-209xzz, SureCN940019, Jsp002866, Ambap150368-37-9, CTK4C6621, MolPort-000-151-074, ACT00525, ANW-48333, WT1619, AKOS015916999, AC-1468, AG-D-96997, Ethyl2-amino-6-fluoro-3-nitrobenzoate

Molecular Formula: C9H9FN2O4Molecular Weight: 228.177163 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: PJSMHOIXOKZIMX-UHFFFAOYSA-N

• (5-CHLORO-PYRIDIN-2-YL)-THIOUREA
IUPAC Name: (5-chloropyridin-2-yl)thiourea | CAS Registry Number: 31430-27-0
Synonyms: (5-Chloro-pyridin-2-yl)-thiourea, 1-(5-chloropyridin-2-yl)thiourea, F2158-1582, ZINC04298864, AC1OGUQL, 5-chloropyridin-2-ylthiourea, (5-chloropyridin-2-yl)thiourea, CTK1B9760, MolPort-000-163-594, BBL004514, STL124534, Thiourea, (5-chloro-2-pyridinyl)-, AKOS005720228, MCULE-3165876317

Molecular Formula: C6H6ClN3SMolecular Weight: 187.649940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: WEGKERUDVFDIST-UHFFFAOYSA-N

• 3',4'-Dimethoxyphenyl acetylene
IUPAC Name: 4-ethynyl-1,2-dimethoxybenzene | CAS Registry Number: 4302-52-7
Synonyms: 4-ethynyl-1,2-dimethoxybenzene, 3,4-dimethoxyphenylacetylene, 4-ethynyl-1,2-dimethoxy-benzene, 1-ethynyl-3,4-dimethoxybenzene, 3',4'-Dimethoxyphenylacetylene, SBB064829, AC1MUCYV, PubChem19824, 1,2-Dimethoxy-4-ethynylbenzene, CTK6J5120, 1-ethynyl-3,4-dimethoxy-benzene, MolPort-002-499-460, ACT09723, ANW-48058, ZINC02513046, AKOS010651605, AG-A-19963, RP22514, AC-19400, AK-43565

Molecular Formula: C10H10O2Molecular Weight: 162.185200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UWSHHXXCHBLOFO-UHFFFAOYSA-N

• 2-(1 H-INDOL-3-YL)-ETHYL]-(3-METHYL-BENZYL)-AMINE
IUPAC Name: 2-(1H-indol-3-yl)ethyl-[(3-methylphenyl)methyl]azanium | CAS Registry Number: 436099-76-2
Synonyms: ZINC02380283, CID1988061

Molecular Formula: C18H21N2+Molecular Weight: 265.372740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: BJMFBYNATMSQTP-UHFFFAOYSA-O

• 6-Bromo-3h-Oxazolo[4,5-B]pyridin-2-One
IUPAC Name: 6-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one | CAS Registry Number: 21594-52-5
Synonyms: 6-Bromo-3H-oxazolo[4,5-b]pyridin-2-one, 6-bromooxazolo[4,5-b]pyridin-2(3H)-one, AG-E-58248, PubChem17712, ACMC-1CAKB, AGN-PC-00NASF, SureCN488612, CTK4E7226, MolPort-002-499-729, ANW-50746, ZINC15442574, AKOS015918829, QC-4162, RP26852, AK-24539, AM803518, BR-24539, KB-45005, AB1001032, WT-130673

Molecular Formula: C6H3BrN2O2Molecular Weight: 215.004220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: VQPBRWIFFBIRRP-UHFFFAOYSA-N

• (R)-(-)-4-Methyl-2-Pentanol
IUPAC Name: (2R)-4-methylpentan-2-ol | CAS Registry Number: 16404-54-9
Synonyms: (R)-(-)-4-Methyl-2-pentanol, (2R)-4-methylpentan-2-ol, (r)-(-)-methylpentan-2-ol, ZINC02041094, AC1OE5TA, 4-methyl (r)-2-pentanol, (2R)-4-methyl-2-pentanol, CTK4D1713, (R)-(-)-4-Methylpentan-2-ol, 2-Pentanol, 4-methyl-,(2R)-, AKOS006341992, KB-63054, FT-0605059, A810530, I14-40368

Molecular Formula: C6H14OMolecular Weight: 102.174760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WVYWICLMDOOCFB-ZCFIWIBFSA-N

• 4'-Methyl-4-formylbiphenyl
IUPAC Name: 4-(4-methylphenyl)benzaldehyde | CAS Registry Number: 36393-42-7
Synonyms: 4-(4-Methylphenyl)benzaldehyde, 664782_ALDRICH, ZINC01257409, 4PNL-Q06-0, CID1392762, 4'-Methyl[1,1'-biphenyl]-4-carboxaldehyde

Molecular Formula: C14H12OMolecular Weight: 196.244480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BCINBWXQYBLSKO-UHFFFAOYSA-N

• 2-Methoxy-4-methyl-3-nitropyridine
IUPAC Name: 2-methoxy-4-methyl-3-nitropyridine

Molecular Formula: C7H8N2O3Molecular Weight: 168.150020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: BGHDKUHZYJCOQG-UHFFFAOYSA-N

• 1-N-Boc-4-methylenepiperidine
IUPAC Name: tert-butyl 4-methylidenepiperidine-1-carboxylate | CAS Registry Number: 159635-49-1
Synonyms: 1-Boc-4-methylene-piperidine, ZINC02382864, CID2756808, FS010917

Molecular Formula: C11H19NO2Molecular Weight: 197.274060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PDTZMULNKGUIEJ-UHFFFAOYSA-N

• 5-Bromovaleryl chloride
IUPAC Name: 5-bromopentanoyl chloride | CAS Registry Number: 4509-90-4
Synonyms: 5-Bromopentanoyl chloride, 331317_ALDRICH, ZINC02560396, CID521173, TL8003130

Molecular Formula: C5H8BrClOMolecular Weight: 199.473420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OKRUMSWHDWKGHA-UHFFFAOYSA-N

• 2-Chloro-6-trifluoromethylaniline
IUPAC Name: 2-chloro-6-(trifluoromethyl)aniline | CAS Registry Number: 433-94-3
Synonyms: 2-Amino-3-chlorobenzotrifluoride, 2-Chloro-6-(trifluoromethyl)aniline, ZINC02564419, EINECS 207-091-8, CID2756384, ST5407321, TL80074086, UX00000639

Molecular Formula: C7H5ClF3NMolecular Weight: 195.569510 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: OTRRSPQJZRCMDA-UHFFFAOYSA-N

• 3-Chlorobenzonitrile
IUPAC Name: 3-chlorobenzonitrile | CAS Registry Number: 766-84-7
Synonyms: m-Chlorobenzonitrile, m-Cyanochlorobenzene, Benzonitrile, 3-chloro-, BENZONITRILE, m-CHLORO-, C24809_ALDRICH, EINECS 212-172-6, Benzonitrile, 3-chloro- (9CI), NSC 59733, NSC59733, ZINC00404318, LS-38652, TL8005257, T5237200, InChI=1/C7H4ClN/c8-7-3-1-2-6(4-7)5-9/h1-4

Molecular Formula: C7H4ClNMolecular Weight: 137.566360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WBUOVKBZJOIOAE-UHFFFAOYSA-N

• 1-(2-Bromoethyl)-1h-Pyrazole
IUPAC Name: 1-(2-bromoethyl)pyrazole | CAS Registry Number: 119291-22-4
Synonyms: 1-(2-bromoethyl)-1H-pyrazole, 1-(2-Bromo-ethyl)-1H-pyrazole, 1-(2-bromoethyl)pyrazole, 1H-Pyrazole,1-(2-bromoethyl)-, (2-bromoethyl)pyrazole, BAS 07200990, ACMC-20agq2, SureCN200982, AC1LD4J4, AC1Q27YD, CTK4B1217, MolPort-002-008-939, 1H-pyrazole, 1-(2-bromoethyl)-, ANW-72600, SBB051197, ZINC00807146, AKOS000169174, AG-D-42110, AK-32958, AM803023

Molecular Formula: C5H7BrN2Molecular Weight: 175.026480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PFSTUXCXMBDZRM-UHFFFAOYSA-N

• 2,1,3-Benzothiadiazole-5-carbonyl chloride
IUPAC Name: 2,1,3-benzothiadiazole-5-carbonyl chloride | CAS Registry Number: 321309-31-3
Synonyms: 2,1,3-benzothiadiazole-5-carbonyl chloride, F2190-0167, ZINC02582858, AC1MCQUV, AC1Q3G6T, CTK1C1933, MolPort-000-142-368, SBB092381, AKOS005217044, AG-F-07247, BP-10319, KB-16113, 2,1,3-Benzothiadiazole-5-carbonylchloride, BB 0246860, FT-0609000, benzo-2,1,3-thiadiazole-5-carbonyl chloride, Benzo[1,2,5]thiadiazole-5-carbonyl chloride, benzo[c]1,2,5-thiadiazole-5-carbonyl chloride, A821149, Benzo-2,1,3-thiadiazole-5-carbonyl chloride;2,1,3-Benzothiadiazole-5-carbonyl chloride;

Molecular Formula: C7H3ClN2OSMolecular Weight: 198.629520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: STVKFABXTFREFG-UHFFFAOYSA-N

• 4'5'-Dimethyl-2'-hydroxyacetophenone
IUPAC Name: 1-(2-hydroxy-4,5-dimethylphenyl)ethanone | CAS Registry Number: 36436-65-4
Synonyms: ZINC00938866, 2-Hydroxy-4,5-dimethylacetophenone, 2'-Hydroxy-4',5'-dimethylacetophenone, EINECS 253-035-0, CID118976, SBB016321

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YXVSURZEXVMUAM-UHFFFAOYSA-N

• (S)-(+)-2,2-Dimethyl-1,3-dioxolane-4-methanol
IUPAC Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methanol | CAS Registry Number: 22323-82-6
Synonyms: Solketal, Glycerolacetone, Dioxolan, Acetone glycerol, Glycerol dimethylketal, Isopropylidene glycerol, Glycerol acetonide, DIOXOLANE, D-Acetone glycerol, Acetone monoglycerol ketal, Ambap651, Glycerinisopropylidene ether, 1,2-Isopropylideneglycerin, 1,2-Isopropylideneglycerol, 2,3-Isopropylideneglycerol, Glycerol acetonide (VAN), 1,2-O-Isopropylideneglycerol, 1,2-O,O-Isopropylideneglycerin, Glycerol, 1,2-O-isopropylidene, 2,3-(Isopropylidenedioxy)propanol

Molecular Formula: C6H12O3Molecular Weight: 132.157680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RNVYQYLELCKWAN-UHFFFAOYSA-N

• 2,8-Dimercapto-6-hydroxypurine
IUPAC Name: 2,8-bis(sulfanylidene)-7,9-dihydro-3H-purin-6-one | CAS Registry Number: 15986-32-0
Synonyms: Dithio-6-oxypurine, 2,8-Dithio-6-oxypurine, Ambap605, 2,8-Mercaptohypoxanthine, Purine-6-ol, 2,8-dimercapto-, Uric acid, 2,8-dithio-, 2,8-Dithio-6-hydroxypurine, MLS000394813, AIDS148481, EINECS 240-120-2, NSC 22715, NSC680829, AIDS-148481, NSC22715, ZINC03249330, ZINC04243034, CID2366465, NCGC00161957-01, Uric acid, 2,8-dithio- (6CI,7CI,8CI), SMR000242902

Molecular Formula: C5H4N4OS2Molecular Weight: 200.241460 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 1

InChIKey: NDSUZZIWNBVBKW-UHFFFAOYSA-N

• (4-CHLORO-3,5-DIMETHYL-PYRAZOL-1-YL)-METHANOL
IUPAC Name: (4-chloro-3,5-dimethylpyrazol-1-yl)methanol | CAS Registry Number: 51355-78-3
Synonyms: SBB022637, (4-Chloro-3,5-dimethyl-pyrazol-1-yl)-methanol, (4-chloro-3,5-dimethylpyrazolyl)methan-1-ol, ZINC02552549, SureCN8657294, CTK1G4911, MolPort-000-160-537, STK313320, AKOS000311472, AG-A-04691, MCULE-1590628537, ST45092546, (4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methanol, 1H-Pyrazole-1-methanol, 4-chloro-3,5-dimethyl-

Molecular Formula: C6H9ClN2OMolecular Weight: 160.601460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NVICRVZMUABBKZ-UHFFFAOYSA-N

• 2-Butyl isothiocyanate
IUPAC Name: (2R)-2-isothiocyanatobutane | CAS Registry Number: 4426-79-3
Synonyms: sec-Butyl isothiocyanate, ZINC00167189, CID5399110

Molecular Formula: C5H9NSMolecular Weight: 115.196660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: TUFJIDJGIQOYFY-RXMQYKEDSA-N

• 2-(2,2,2-TRIFLUOROETHOXY)PYRIDINE-5-CARBONITRILE
IUPAC Name: 6-(2,2,2-trifluoroethoxy)pyridine-3-carbonitrile | CAS Registry Number: 159981-18-7
Synonyms: 6-(2,2,2-trifluoroethoxy)pyridine-3-carbonitrile, 6-(2,2,2-Trifluoroethoxy)nicotinonitrile, ZINC00124431, AC1MCRH8, Maybridge3_007168, SureCN2694186, CTK4D0285, MolPort-000-158-885, HMS1451F18, SPB05790, ANW-57604, SBB092870, AKOS000183622, AG-E-09413, IDI1_018555, AK-62522, KB-44184, 2-(2,2,2-Trifluoroethoxy)pyridine-5-carbonitrile, 6-(2,2,2-trifluoroethoxy)-3-pyridinecarbonitrile, A810093

Molecular Formula: C8H5F3N2OMolecular Weight: 202.133310 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: JCCWYJAWPPUERF-UHFFFAOYSA-N

• 1-Piperidinecarboxylic acid, 2-(aminomethyl)-, 1,1-dimethylethyl ester, (2S)-
IUPAC Name: tert-butyl (2S)-2-(aminomethyl)piperidine-1-carboxylate | CAS Registry Number: 475105-35-2
Synonyms: (S)-2-Aminomethyl-1-N-Boc-piperidine, (s)-2-(aminomethyl)-1-n-boc-piperidine, 1-Piperidinecarboxylicacid, 2-(aminomethyl)-, 1,1-dimethylethyl ester, (2S)-, AC1LT3YC, SureCN344947, CTK4J0060, MolPort-000-140-278, ANW-61778, AKOS005258697, AKOS015897988, AG-F-61686, RP04922, AK-29275, KB-63496, AB1006542, A-5773, A13070, I12-0255, (2S)-tert-butyl 2-(aminomethyl)cyclohexanecarboxylate, (s)-tert-butyl 2-(aminomethyl)piperidine-1-carboxylate

Molecular Formula: C11H22N2O2Molecular Weight: 214.304580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PTVRCUVHYMGECC-VIFPVBQESA-N

• (S)-(+)-4-Phenyl-2-Butanol
IUPAC Name: (2S)-4-phenylbutan-2-ol | CAS Registry Number: 22148-86-3
Synonyms: (S)-(+)-4-Phenyl-2-butanol, (2S)-4-phenyl-2-butanol, (2S)-4-phenylbutan-2-ol, (S)-(+)-4-Phenylbutan-2-ol, AC1ODVRO, UNII-EJP87N3Z5V, (S)-4-Phenyl-2-butanol, SureCN2942774, (+)-4-Phenyl-2-butanol, 4-Phenyl-2-butanol, (S)-, 558095_ALDRICH, (S)-alpha-Methylbenzenepropanol, (S)-1-Methyl-3-phenylpropanol, 4-Phenyl-2-butanol, (2S)-, CTK4E8767, (alphaS)-alpha-Methylbenzenepropanol, ZINC01695428, AKOS006342336, Benzenepropanol, alpha-methyl-, (S)-, Benzenepropanol, |A-methyl-, (|AS)-

Molecular Formula: C10H14OMolecular Weight: 150.217560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: GDWRKZLROIFUML-VIFPVBQESA-N

• 2'-Fluorobiphenyl-4-carboxylic acid
IUPAC Name: 4-(2-fluorophenyl)benzoate | CAS Registry Number: 365-12-8
Synonyms: ZINC00111037, CID6926183

Molecular Formula: C13H8FO2-Molecular Weight: 215.199823 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SLKZDWAZOKIEEU-UHFFFAOYSA-M

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

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

InChIKey: GGVLXXOXZOFPJH-UHFFFAOYSA-N

• 3-(tert-Butyl)-1-methylpyrazole-5-carbonylchloride
IUPAC Name: 5-tert-butyl-2-methylpyrazole-3-carbonyl chloride | CAS Registry Number: 160842-62-6
Synonyms: 3-(Tert-Butyl)-1-Methyl-1H-Pyrazole-5-Carbonyl Chloride, 5-tert-butyl-2-methylpyrazole-3-carbonyl chloride, 3-(tert-Butyl)-1-methylpyrazole-5-carbonyl chloride, ZINC02150014, AC1MC3VJ, AC1Q40AD, CTK0H3700, MolPort-000-146-636, SPB03150, SBB005464, AKOS015911982, AG-A-62727, KB-178656, FT-0613890, 5-tert-butyl-2-methyl-3-pyrazolecarbonyl chloride, A810195, 3-(tert-butyl)-1-methylpyrazole-5-carbonylchloride, 5-tert-butyl-2-methyl-pyrazole-3-carbonyl chloride, I14-36451, 3-(tert-butyl)-1-methyl-1h-pyrazole-5-carbonylchloride

Molecular Formula: C9H13ClN2OMolecular Weight: 200.665320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SJGURXGUNLVMAQ-UHFFFAOYSA-N

• 5-Formyl-thiophene-2-carboxylic acid
IUPAC Name: [3-(1-methylbenzimidazol-2-yl)-2-oxochromen-7-yl] propanoate | CAS Registry Number: 4565-31-5
Synonyms: Oprea1_102402, IFLab1_004988, STOCK1N-32257, ZINC00079407, EU-0045516

Molecular Formula: C20H16N2O4Molecular Weight: 348.352040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: TZGLFTDSHMWZGW-UHFFFAOYSA-N

• 4'-Chlorobiphenyl-3-carboxylic acid
IUPAC Name: 3-(4-chlorophenyl)benzoate | CAS Registry Number: 4655-10-1
Synonyms: ZINC02581035, CID7022505

Molecular Formula: C13H8ClO2-Molecular Weight: 231.654420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OWFMSKZVCPGDEJ-UHFFFAOYSA-M

• 6-Bromo-3-cyanochromone
IUPAC Name: 6-bromo-4-oxochromene-3-carbonitrile | CAS Registry Number: 52817-13-7
Synonyms: 6-bromo-4-oxochromene-3-carbonitrile, 6-bromo-4-oxo-4h-chromene-3-carbonitrile, ST50319632, ZINC00085600, AC1LDXKR, SureCN11266430, CTK4J6562, ACT08291, WTI-11043, AKOS005202965, 6-bromo-4-oxo-1-benzopyran-3-carbonitrile, KB-199187, FT-0640111, 4H-1-Benzopyran-3-carbonitrile,6-bromo-4-oxo-, 6-bromanyl-4-oxidanylidene-chromene-3-carbonitrile, A829266

Molecular Formula: C10H4BrNO2Molecular Weight: 250.048260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: MGVVCEKLWMZFLS-UHFFFAOYSA-N

• 1-Piperidinecarboxylic acid, 4-chloro-, 1,1-dimethylethyl ester
IUPAC Name: tert-butyl 4-chloropiperidine-1-carboxylate | CAS Registry Number: 154874-94-9
Synonyms: N-Boc-4-chloro-piperidine, Tert-butyl 4-chloropiperidine-1-carboxylate, 1-Boc-4-chloropiperidine, 1-boc-4-chloro-piperidine, 4-Chloro-piperidine-1-carboxylic acid tert-butyl ester, AG-E-02968, 1-piperidinecarboxylic acid, 4-chloro-, 1,1-dimethylethyl ester, n-boc-4-chloropiperidine, SureCN2006303, KSC528I4H, CTK4C8443, HT970, ACT08986, 1-N-BOC-4-CHLORO-PIPERIDINE, ANW-48782, RW4067, ZINC02527230, AKOS015837029, AB19505, QC-1798

Molecular Formula: C10H18ClNO2Molecular Weight: 219.708420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NZZWXABIGMMKQL-UHFFFAOYSA-N

• 4-Amino-4'-fluorobiphenyl
IUPAC Name: 4-(4-fluorophenyl)aniline | CAS Registry Number: 324-93-6
Synonyms: 4'-Fluoro-4-aminobiphenyl, 4'-Fluoro-4-aminodiphenyl, 4-(p-Fluorophenyl)aniline, 4'-Fluoro-4-biphenylamine, 4-(4-Fluorophenyl)aniline, 4-Amino-4'-fluorodiphenyl, 4'-fluorobiphenyl-4-amine, WLN: ZR DR DF, CCRIS 1569, NCIOpen2_001407, 4'-Fluoro-biphenyl-4-ylamine, 4-Amino-4'-fluorbifenyl [Czech], 4-BIPHENYLAMINE, 4'-FLUORO-, EINECS 206-306-2, NSC 88341, 4'-Fluoro(1,1'-biphenyl)-4-amine, NSC88341, BRN 2936239, SBB010202, ZINC02022419

Molecular Formula: C12H10FNMolecular Weight: 187.212903 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HTRVALPKPVGOSZ-UHFFFAOYSA-N

• 2-Hydroxymethyl-3,4-dihydro-2H-pyran
IUPAC Name: 3,4-dihydro-2H-pyran-2-ylmethanol | CAS Registry Number: 3749-36-8
Synonyms: Ambap4948, 3,4-Dihydro-2H-pyran-2-methanol, NSC20753, 55665_FLUKA, CID95559, EINECS 223-150-0, 3,4-Dihydro-2H-pyran-2-ylmethanol, 2H-Pyran-2-methanol, 3,4-dihydro-, AI3-24752

Molecular Formula: C6H10O2Molecular Weight: 114.142400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XMICBFRKICBBKD-UHFFFAOYSA-N

• 5-Fluoro-1H-indole-3-carbaldehyde
IUPAC Name: 5-fluoro-1H-indole-3-carbaldehyde | CAS Registry Number: 2338-71-8
Synonyms: F2001_SIGMA, 5-Fluoroindole-3-carboxaldehyde, ZERO/005119, NSC88615, ZINC00157226, F-5100

Molecular Formula: C9H6FNOMolecular Weight: 163.148443 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YUAJKGBLPVLADK-UHFFFAOYSA-N

• 1H,1H,5H-Octafluoropentyl-1,1,2,2-tetrafluoroethylether
IUPAC Name: 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane | CAS Registry Number: 16627-71-7
Synonyms: 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane, AC1MD2MP, CTK4D2294, MolPort-000-157-863, ANW-73121, AKOS005762836, AG-E-15786, PC10021, AK106195, KB-216098, FT-0637386, A810711, I14-41681, 1H,1H,5H-Perfluoropentyl-1,1,2,2-tetrafluoroethylether, 1h,1h,5h-octafluoropentyl 1,1,2,2-tetrafluoroethyl ether, 1h,1h,5h-octafluoropentyl 1,12,2-tetrafluoroethyl ether, 1H,1H,5H-Octafluoropentyl-1,1,2,2-tetrafluoroethyl ether, 1h,1h,5h-perfluoropentyl-1,1,2,2-tetrafluoroethyl ether, 2,2,3,3,4,4,5,5-octafluoro-1-(1,1,2,2-tetrafluoro-ethoxy)pentane, 2,2,3,3,4,4,5,5-octafluoro-1-(1,1,2,2-tetrafluoroethoxy)pentane

Molecular Formula: C7H4F12OMolecular Weight: 332.086898 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 13

InChIKey: ZNBGTBKGFZMWKR-UHFFFAOYSA-N

• 1-METHYL-2-PHENETHYL-1H-BENZOIMIDAZOL-5-YLAMINE
IUPAC Name: 1-methyl-2-(2-phenylethyl)benzimidazol-5-amine

Molecular Formula: C16H17N3Molecular Weight: 251.326280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CHJQTXXCCOYJJZ-UHFFFAOYSA-N

• 1-(3,5-Dimethoxyphenyl)piperazine
IUPAC Name: 1-(3,5-dimethoxyphenyl)piperazine | CAS Registry Number: 53557-93-0
Synonyms: 1-(3,5-dimethoxyphenyl)piperazine, 1-(3,5-Dimethoxyphenyl)-piperazine, AG-F-84139, SureCN443521, AC1MC52F, Oprea1_352805, AC1Q497E, CHEMBL2335163, CTK4J8376, MolPort-000-154-686, 1-(3,5-dimethoxy-phenyl)piperazine, ANW-54521, 1-(3,5-Dimethoxy-phenyl)-piperazine, AKOS009128714, Piperazine,1-(3,5-dimethoxyphenyl)-, AB01825, AG-A-13220, AK-81682, KB-08553, KB034058

Molecular Formula: C12H18N2O2Molecular Weight: 222.283520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: COWMQOCYJSUFSB-UHFFFAOYSA-N

• 2-(3-CHLORO-PHENYL)-OXIRANE
IUPAC Name: 2-(3-chlorophenyl)oxirane | CAS Registry Number: 20697-04-5
Synonyms: 3-Chlorostyrene oxide, 3-Chloroepoxystyrene, m-Chlorostyrene oxide, (m-Chlorophenyl)oxirane, (3-Chlorophenyl)oxirane, 2-(3-Chlorophenyl)oxirane, CCRIS 878, Oxirane, (3-chlorophenyl)-, Benzene, 1-chloro-3-(epoxyethyl)-, MolPort-002-499-439, CID155613, Oxirane, (3-chlorophenyl)- (9CI), AC-6652, LS-29479

Molecular Formula: C8H7ClOMolecular Weight: 154.593580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YVMKRPGFBQGEBF-UHFFFAOYSA-N

• 4-[2-(5-Ethyl-2-Pyridyl)Ethoxy]Nitrobenzene
IUPAC Name: 5-ethyl-2-[2-(4-nitrophenoxy)ethyl]pyridine | CAS Registry Number: 85583-54-6
Synonyms: 4-(2-(5-ethyl-2-pyridyl)ethoxy)nitrobenzene, 5-ethyl-2-(2-(4-nitrophenoxy)ethyl)pyridine, 4-2-(5-ethyl-2-pyridinyl)ethoxy nitrobenzene, 4-2-(5-Ethyl-2-pyridyl)ethoxy nitrobenzene, (4-[2-(5-Ethyl-2-pyridyl)ethoxy]nitrobenzene), 4-[2-(5-ethyl-2-pyridyl)ethoxy]nitrobenzene, 5-Ethyl-2-[2-(4-nitrophenoxy)ethyl]pyridine, AGN-PC-00M0MN, SureCN1199841, CTK5F5271, MolPort-005-940-367, ACT04244, ANW-73179, SBB063514, ZINC16696705, AKOS015889282, AC-3450, AG-H-44538, AK106090, KB-186090

Molecular Formula: C15H16N2O3Molecular Weight: 272.299140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: KGCCHRPMSPXKJE-UHFFFAOYSA-N

• 1-(2-Trifluoromethylphenyl)Imidazoline-2-Thione
IUPAC Name: 3-[2-(trifluoromethyl)phenyl]-1H-imidazole-2-thione | CAS Registry Number: 25372-17-2
Synonyms: STK374503, ZINC00156269, ZINC01017746, BBV-213429, CID1235114, 1-(2-Trifluoromethylphenyl)imidazoline-2-thione, LT00454323, AG-690/11383011, 1-[2-(trifluoromethyl)phenyl]-1H-imidazole-2-thiol, 1-[2-(Trifluoromethyl)phenyl]-1,3-dihydro-2H-imidazole-2-thione, 1-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl hydrosulfide

Molecular Formula: C10H7F3N2SMolecular Weight: 244.236190 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SHEVDRLIPIJLJW-UHFFFAOYSA-N

• 2'-Chlorobiphenyl-4-carboxylic acid
IUPAC Name: 4-(2-chlorophenyl)benzoic acid | CAS Registry Number: 3808-93-3
Synonyms: F 1893, F-1893, (1,1'-Biphenyl)-4-carboxylic acid, 2'-chloro-

Molecular Formula: C13H9ClO2Molecular Weight: 232.662360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AOTYKBXXCYCXRZ-UHFFFAOYSA-N

• 3,4-(Methylenedioxy)phenylacetonitrile
IUPAC Name: 2-(1,3-benzodioxol-5-yl)acetonitrile

Molecular Formula: C9H7NO2Molecular Weight: 161.157380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZQPBOYASBNAXOZ-UHFFFAOYSA-N

• 6-Bromo-4-hydroxy-2-(trifluoromethyl)quinoline
IUPAC Name: 6-bromo-2-(trifluoromethyl)-1H-quinolin-4-one | CAS Registry Number: 1701-22-0
Synonyms: 6-bromo-2-(trifluoromethyl)quinolin-4-ol, 6-Bromo-2-trifluoromethyl-quinolin-4-ol, 6-bromo-2-(trifluoromethyl)-1H-quinolin-4-one, NSC128778, PubChem5927, AC1L5OXS, Maybridge3_004065, AC1Q4IJ5, SureCN4214227, CTK4D3492, MolPort-000-152-133, HMS1442I17, ACT08279, AR-1H1039, PC1476, AKOS005203142, AKOS009159389, AC-7371, AG-C-08111, AG-E-19382

Molecular Formula: C10H5BrF3NOMolecular Weight: 292.052010 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: HIBGBUAHZUWVNW-UHFFFAOYSA-N

• 5-Hydroxymethyl-1,3-benzodioxolane
IUPAC Name: 1,3-benzodioxol-5-ylmethanol | CAS Registry Number: 495-76-1
Synonyms: Piperonyl alcohol, Piperonol, Heliotropyl alcohol, 1,3-BENZODIOXOLE-5-METHANOL, 1,3-Benzodioxol-5-ylmethanol, P49406_ALDRICH, 5-Hydroxymethyl-1,3-benzodioxole, Benzo[1,3]dioxol-5-ylmethanol, 3,4-Methylenedioxybenzyl alcohol, DAlc2-H_000040, 3,4-(Methylenedioxy)phenylmethanol, 3,4-(Methylenedioxy)benzyl alcohol, CID10322, NSC26265, Benzyl alcohol, 3,4-(methylenedioxy)-, EINECS 207-808-4, NSC 26265, SBB004053, ZINC00157455, 1-Hydroxymethyl-3,4-methylenedioxybenzene

Molecular Formula: C8H8O3Molecular Weight: 152.147320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BHUIUXNAPJIDOG-UHFFFAOYSA-N


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