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• 2,2-Dimethylglutaric acid
IUPAC Name: 2,2-dimethylpentanedioic acid | CAS Registry Number: 681-57-2
Synonyms: 2,2-DIMETHYLGLUTARIC ACID, 2,2-Dimethylpentanedioic acid, 205265_ALDRICH, EINECS 211-655-9, Pentanedioic acid, 2,2-dimethyl-, .alpha.,.alpha.-Dimethylglutaric acid, NSC61979, SBB008199, FR-1051, LS-195278, TL8004790, alpha,alpha-DIMETHYLGLUTARIC ACID (2,2), D-5300

Molecular Formula: C7H12O4Molecular Weight: 160.167780 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: BTUDGPVTCYNYLK-UHFFFAOYSA-N

• 1-Bromo-6-Chlorohexane
IUPAC Name: 1-bromo-6-chlorohexane | CAS Registry Number: 6294-17-3
Synonyms: 1-Bromo-6-chlorohexane, 6-Chlorohexyl bromide, 1-Chloro-6-bromohexane, Hexane, 1-bromo-6-chloro-, Hexyl bromide, 6-chloro-, NSC9249, 241652_ALDRICH, CID80516, NSC 9249, EINECS 228-555-6

Molecular Formula: C6H12BrClMolecular Weight: 199.516480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: JTYUIAOHIYZBPB-UHFFFAOYSA-N

• 2-Chloro-1-(4-Hydroxyphenyl)ethanone
IUPAC Name: 2-chloro-1-(4-hydroxyphenyl)ethanone | CAS Registry Number: 6305-04-0
Synonyms: Chlorophenacyle, p-(Chloroacetyl)phenol, p-Hydroxyphenacyl chloride, 4-Hydroxyphenacyl chloride, 2-Chloro-1-(4-hydroxyphenyl)ethanone, 2-Chloro-4'-hydroxyacetophenone, EINECS 228-613-0, Ethanone, 2-chloro-1-(4-hydroxyphenyl)-, CID80557, NSC41671, BRN 2086326, SBB010124, ZINC01673523, 2-Chloro-1-(4-hydroxyphenyl)ethan-1-one, 2-Chloro-1-(4-hydroxy-phenyl)-ethanone, ASN 00415711, LS-67246, Hydrobromide alpha-amino-gamma-butyrolactone, TL8004368, Acetophenone, 2-chloro-4'-hydroxy- (6CI,7CI)

Molecular Formula: C8H7ClO2Molecular Weight: 170.592980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: PPPIAEPDQPCIIM-UHFFFAOYSA-N

• 3,5-Dibromo-4-Methylphenol
IUPAC Name: 3,5-dibromo-4-methylphenol | CAS Registry Number: 13979-81-2
Synonyms: 3,5-Dibromo-p-cresol, 3,5-Dibromo-4-methylphenol, Phenol, 3,5-dibromo-4-methyl-, ZINC02021305, CID55457, EINECS 237-763-6, 86006-42-0

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

InChIKey: AXCQKKVGMZCWPC-UHFFFAOYSA-N

• 2-Chloro-5-Methoxyaniline Hydrochloride
IUPAC Name: (2-chloro-5-methoxyphenyl)azanium chloride | CAS Registry Number: 85006-21-9
Synonyms: 2-Chloro-5-methoxyanilinium chloride, EINECS 285-050-3, CID3086200

Molecular Formula: C7H9Cl2NOMolecular Weight: 194.058460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NQWBPXKJBZYGHZ-UHFFFAOYSA-N

• 2-Vinylnaphthalene
IUPAC Name: 2-ethenylnaphthalene | CAS Registry Number: 827-54-3
Synonyms: 2-VINYLNAPHTHALENE, Naphthalene, 2-ethenyl-, Polyvinylnaphthalene, 2-ethenylnaphthalene, beta-Vinylnaphthalene, V2909_ALDRICH, 453870_ALDRICH, CHEBI:51325, EINECS 212-573-6, NSC177870, Naphthalene, 2-ethenyl-, homopolymer, NSC 177870, TL8005462, 28406-56-6, InChI=1/C12H10/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h2-9H,1H

Molecular Formula: C12H10Molecular Weight: 154.207800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: KXYAVSFOJVUIHT-UHFFFAOYSA-N

• 1,2-Bis(dimethylsilyl)benzene
IUPAC Name: [2-(dimethyl-$l^{3}-silanyl)phenyl]-dimethylsilicon | CAS Registry Number: 17985-72-7
Synonyms: o-Phenylenebis(dimethylsilane), [2-(dimethyl-, AC1MBZSF, ACMC-209efy, AC1O4CNB, SureCN148575, 14804_ALDRICH, 14804_FLUKA, CTK3J0706, QAUCEYVYCBYVDK-UHFFFAOYSA-, 1,2-Phenylenebis(dimethylsilane), MolPort-003-926-555, ANW-22988, (2-dimethylsilylphenyl)-dimethylsilane, AKOS015840027, AKOS015888396, AG-E-30099, AK126571, KB-10065, B1699

Molecular Formula: C10H16Si2Molecular Weight: 192.405040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: MUUXBTFQEXVEEI-UHFFFAOYSA-N

• 1-(2-Chlorophenyl)ethanol
IUPAC Name: 1-(2-chlorophenyl)ethanol | CAS Registry Number: 13524-04-4
Synonyms: Ambap632, 1-(2-CHLOROPHENYL)ETHANOL, 2-Chloro-alpha-methylbenzyl alcohol, EINECS 236-868-4, Benzyl alcohol, o-chloro-.alpha.-methyl-, Benzenemethanol, 2-chloro-.alpha.-methyl-, Benzenemethanol, 2-chloro-alpha-methyl-, 132437-66-2

Molecular Formula: C8H9ClOMolecular Weight: 156.609460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DDUBOVLGCYUYFX-UHFFFAOYSA-N

• 5-Bromo-2,3-difluoroanisole
IUPAC Name: 5-bromo-1,2-difluoro-3-methoxybenzene | CAS Registry Number: 261762-35-0
Synonyms: ZINC02574965, JRD-1032, CID2773288, ST5408639

Molecular Formula: C7H5BrF2OMolecular Weight: 223.014806 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UDTVFZBQFYOZST-UHFFFAOYSA-N

• 3'-Fluoroacetanilide
IUPAC Name: N-(3-fluorophenyl)acetamide | CAS Registry Number: 351-28-0
Synonyms: 3-Fluoroacetanilide, m-Fluoroacetanilide, Acetanilide, 3'-fluoro-, 363782_ALDRICH, Acetamide, N-(3-fluorophenyl)-, N-(3-FLUOROPHENYL)ACETAMIDE, NSC10348, EINECS 206-509-6, ZINC00389744, ST5410470, InChI=1/C8H8FNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11

Molecular Formula: C8H8FNOMolecular Weight: 153.153623 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AQLLDCFUQXGLHM-UHFFFAOYSA-N

• 2-Nitrobenzenesulfenyl chloride
IUPAC Name: (2-nitrophenyl) thiohypochlorite | CAS Registry Number: 7669-54-7
Synonyms: 2-Nitrophenylsulfenyl chloride, o-Nitrobenzenesulfenyl chloride, o-Nitrophenylsulphenyl chloride, o-Nitrobenzenesulphenyl chloride, Benzenesulfenyl chloride, 2-nitro-, STOCK5S-58333, O-NITROPHENYLSULFENYL CHLORIDE, Benzenesulfenyl chloride, o-nitro-, NSC16179, EINECS 231-644-2, NSC 16179, Benzenesulfenyl chloride, o-nitro- (8CI), InChI=1/C6H4ClNO2S/c7-11-6-4-2-1-3-5(6)8(9)10/h1-4

Molecular Formula: C6H4ClNO2SMolecular Weight: 189.619460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NTNKNFHIAFDCSJ-UHFFFAOYSA-N

• 3-octyn-1-ol
IUPAC Name: oct-3-yn-1-ol | CAS Registry Number: 14916-80-4
Synonyms: 3-Octyn-1-ol, 545430_ALDRICH, NSC67251, EINECS 238-986-1, NSC 67251, SBB009106, ZINC01694314, AI3-07044

Molecular Formula: C8H14OMolecular Weight: 126.196160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: LRZGRGVRZSDRTK-UHFFFAOYSA-N

• 8-hydroxy-7-iodoquinoline-5-sulfonic acid
IUPAC Name: 8-hydroxy-7-iodoquinoline-5-sulfonic acid | CAS Registry Number: 547-91-1
Synonyms: Ferron, Quiniophen, Anayodin, Meditrene, Quinoxyl, Loretin, Sefona, Yatren, Yellon, CHINIOFON, Ferron (analytical reagent), C9H6INO4S, Iodoxyquinolinesulfonic acid, 7-Iodooxine-5-sulfonic acid, 5-Sulfo-7-iodo-8-quinolinol, Jod-hydroxychinolin-sulfonsaeure, 55370_FLUKA, NSC3784, 8-Hydroxy-7-iodoquinolinesulfonic acid, WLN: T66 BNJ GSWQ II JQ

Molecular Formula: C9H6INO4SMolecular Weight: 351.117710 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: ZBJWWKFMHOAPNS-UHFFFAOYSA-N

• 2-Morpholinopyridine-5-boronic acid, pinacol ester
IUPAC Name: 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine | CAS Registry Number: 485799-04-0
Synonyms: 654310_ALDRICH, ST5407571, 6-Morpholinopyridin-3-ylboronic acid pinacol ester, 6-(Morpholin-4-yl)pyridine-3-boronic acid pinacol ester, 1-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine

Molecular Formula: C15H23BN2O3Molecular Weight: 290.165720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: ZGDLVKWIZHHWIR-UHFFFAOYSA-N

• 3-Nitro-4-Iodobenzoic Acid
IUPAC Name: 4-iodo-3-nitrobenzoic acid | CAS Registry Number: 35674-27-2
Synonyms: 4-iodo-3-nitrobenzoic acid, 4-Iodo-3-nitrobenzoicacid, SBB063571, 3-Nitro-4-iodobenzoic acid, 4-iodo-3-nitro-benzoic Acid, PubChem13471, ACMC-209z8y, AC1Q72SD, AGN-PC-004EAG, SureCN1766442, Benzoic acid, 4-iodo-3-nitro-, CTK3J7654, MolPort-002-461-798, ACT08154, ANW-49952, AKOS009462959, AG-F-23781, AS04550, LS10177, MCULE-1086274318

Molecular Formula: C7H4INO4Molecular Weight: 293.015430 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: DNMTZLCNLAIKQC-UHFFFAOYSA-N

• 2-Methyl-2-Nitropropane
IUPAC Name: 2-methyl-2-nitropropane | CAS Registry Number: 594-70-7
Synonyms: Trimethylnitromethane, 2-Nitroisobutane, Nitro-tert-butane, Propane, 2-methyl-2-nitro-, 2-METHYL-2-NITROPROPANE, 2-Nitro-2-methylpropane, 1,1-Dimethyl-1-nitroethane, CCRIS 5044, NSC3651, 189022_ALDRICH, NSC 3651, EINECS 209-851-4, CID11672, ZINC01666930, FR-1020, LS-188162, S14-1104, InChI=1/C4H9NO2/c1-4(2,3)5(6)7/h1-3H

Molecular Formula: C4H9NO2Molecular Weight: 103.119760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AIMREYQYBFBEGQ-UHFFFAOYSA-N

• 2-Butoxyacetic acid
IUPAC Name: 2-butoxyacetic acid | CAS Registry Number: 2516-93-0
Synonyms: Butoxyacetic acid, n-Butoxyacetic acid, Acetic acid, butoxy-, CCRIS 7195, NSC 10980, NSC10980, LS-188271, 56637-93-5

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

InChIKey: AJQOASGWDCBKCJ-UHFFFAOYSA-N

• 2-Hydroxy-6-methylnicotinic acid
IUPAC Name: 6-methyl-2-oxo-1H-pyridine-3-carboxylic acid | CAS Registry Number: 38116-61-9
Synonyms: Maybridge3_006033, Oprea1_731245, H43008_ALDRICH, 6-Methyl-3-carboxy-2-pyridone, 2-Hydroxy-6-methylpyridine-3-carboxylic acid, NSC10728, EINECS 253-784-3, SBB004049, IDI1_017420, SB 01990, 6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid, 3-Pyridinecarboxylic acid, 1,2-dihydro-6-methyl-2-oxo-, InChI=1/C7H7NO3/c1-4-2-3-5(7(10)11)6(9)8-4/h2-3H,1H3,(H,8,9)(H,10,11

Molecular Formula: C7H7NO3Molecular Weight: 153.135380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: XRIHTJYXIHOBDQ-UHFFFAOYSA-N

• 1,1,1-Trifluoro-2,3-Epoxypropane
IUPAC Name: 2-(trifluoromethyl)oxirane | CAS Registry Number: 359-41-1
Synonyms: 2-(Trifluoromethyl)oxirane, Oxirane, (trifluoromethyl)-, 3,3,3-Trifluoropropane epoxide, 3,3,3-Trifluoro-1,2-epoxypropane, CID520769, Phosphinous acid, bis(trifluoromethyl) ester

Molecular Formula: C3H3F3OMolecular Weight: 112.050530 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: AQZRARFZZMGLHL-UHFFFAOYSA-N

• 2-Ethylbutyryl Chloride
IUPAC Name: 2-ethylbutanoyl chloride | CAS Registry Number: 2736-40-5
Synonyms: 2-Ethylbutyryl chloride, 2-Ethylbutyroyl chloride, Butanoyl chloride, 2-ethyl-, Butyryl chloride, 2-ethyl-, 157430_ALDRICH, NSC8757, CID75954, NSC 8757, EINECS 220-359-9, ZINC01648220, BBV-186683

Molecular Formula: C6H11ClOMolecular Weight: 134.603940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SMUKODJVMQOSAB-UHFFFAOYSA-N

• 2-Hydroxycaprylic Acid
IUPAC Name: 2-hydroxyoctanoic acid | CAS Registry Number: 617-73-2
Synonyms: 2-Hydroxyoctanoic acid, alpha-Hydroxycaprylic acid, 2-hydroxy caprylic acid, 2-hydroxy-octanoic acid, 2-Hydroxy-n-caprylic Acid, bmse000572, ()-2-Hydroxycaprylic acid, ()-2-Hydroxyoctanoic acid, .alpha.-Hydroxycaprylic acid, H7396_SIGMA, (+/-)-2-Hydroxycaprylic acid, (+/-)-2-Hydroxyoctanoic acid, CID94180, EINECS 210-524-3, LMFA01050020, NSC189703, NSC 189703, TL8003944

Molecular Formula: C8H16O3Molecular Weight: 160.210840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JKRDADVRIYVCCY-UHFFFAOYSA-N

• 2,5-Dimethylbenzaldehyde
IUPAC Name: 2,5-dimethylbenzaldehyde | CAS Registry Number: 5779-94-2
Synonyms: Isoxylaldehyde, Benzaldehyde, 2,5-dimethyl-, 2,5-DIMETHYLBENZALDEHYDE, 151068_ALDRICH, EINECS 227-303-2, SBB008435, ZINC02012003, FR-2051, InChI=1/C9H10O/c1-7-3-4-8(2)9(5-7)6-10/h3-6H,1-2H

Molecular Formula: C9H10OMolecular Weight: 134.175100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SMUVABOERCFKRW-UHFFFAOYSA-N

• 2-Chloro-3-Fluoro-4-Nitropyridine-N-Oxide
IUPAC Name: 2-chloro-3-fluoro-4-nitro-1-oxidopyridin-1-ium | CAS Registry Number: 101664-56-6
Synonyms: ZINC02525819, CID7016327, C215, 2-Chloro-3-fluoro-4-nitropyridine N-oxide, LT03383144, I02-1158

Molecular Formula: C5H2ClFN2O3Molecular Weight: 192.532383 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: IQKSCEDCDQGAAO-UHFFFAOYSA-N

• 4-Bromophenylacetone
IUPAC Name: methyl 2-[[2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetyl]amino]benzoate | CAS Registry Number: 6186-22-7
Synonyms: CBMicro_010495, Oprea1_058509, ZINC15769186, CID2889892, DAH1545216, BIM-0010309.P001

Molecular Formula: C24H24N2O5SMolecular Weight: 452.522760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: CDUPPXGKUKTGLU-UHFFFAOYSA-N

• 3,3,3-Trifluoropropanal
IUPAC Name: 3,3,3-trifluoropropanal | CAS Registry Number: 460-40-2
Synonyms: Trifluoropropionaldehyde, Propanal, 3,3,3-trifluoro-, 3,3,3-Trifluoropropionaldehyde, Propionaldehyde, 3,3,3-trifluoro-, AKR-B014012, CID68028, BRN 1743508, STK349160, ZINC01847396, Propanal, 3,3,3-trifluoro- (9CI), LS-123994, 4-01-00-03173 (Beilstein Handbook Reference)

Molecular Formula: C3H3F3OMolecular Weight: 112.050530 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: UTMIEQASUFFADK-UHFFFAOYSA-N

• 3,4,5-Trifluorobenzylamine
IUPAC Name: (3,4,5-trifluorophenyl)methanamine | CAS Registry Number: 235088-69-4
Synonyms: JRD-0638, (3,4,5-trifluorophenyl)methanamine, CID2777048, LT03497006

Molecular Formula: C7H6F3NMolecular Weight: 161.124450 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: AJGBQAAXUVSBCH-UHFFFAOYSA-N

• 3,4-Methylenedioxy-Beta-Nitrostyrene
IUPAC Name: 5-[(E)-2-nitroethenyl]-1,3-benzodioxole | CAS Registry Number: 1485-00-3
Synonyms: Syk Inhibitor III, 3,4-Methylenedioxy-beta-nitrostyrene, NSC 10120, 1,3-Benzodioxole, 5-nitrovinyl-, Hg~BAHAEnISdfue[Yt{ZX@bbAFP, NSC 105303, NSC 170724, 3,4-Methylenedioxy-.beta.-nitrostyrene, BRN 0192350, 3,4-Methylenedioxy-.omega.-nitrostyrene, CID672296, ZINC00033976, 1,3-Benzodioxole, 5-(2-nitroethenyl)-, Styrene, 3,4-methylenedioxy-beta-nitro-, AI3-02050, FR-0420, RH01697, LS-147225, 5-19-01-00545 (Beilstein Handbook Reference)

Molecular Formula: C9H7NO4Molecular Weight: 193.156180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: KFLWBZPSJQPRDD-ONEGZZNKSA-N

• 5-Methyl-7-Hydroxy-1,3,4-Triaza-indolizine
IUPAC Name: 5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one | CAS Registry Number: 2503-56-2
Synonyms: Methyl hydroxytriazaindolizine, Maybridge1_002273, NCIOpen2_003740, MLS000038744, MLS000541721, 177679_ALDRICH, 422509_ALDRICH, 5-Methyl-7-hydroxy-1,3,4-triazaindolizine, EINECS 219-706-7, ZERO/005161, CC-PMLSC-PW-03AACA011, NSC 32071, NSC 511493, NSC32071, NSC 2603562, UPDDI-00398590, NSC511493, ZINC00023112, ZINC00084213, SDCCGMLS-0000503.P002

Molecular Formula: C6H6N4OMolecular Weight: 150.138040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: INVVMIXYILXINW-UHFFFAOYSA-N

• 6,7-Dimethoxy-1-tetralone
IUPAC Name: 6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one | CAS Registry Number: 13575-75-2
Synonyms: NCIOpen2_007158, 6,7-dimethoxytetralin-1-one, 273937_ALDRICH, CID266816, NSC105617, ZINC04529198, ST5407509, InChI=1/C12H14O3/c1-14-11-6-8-4-3-5-10(13)9(8)7-12(11)15-2/h6-7H,3-5H2,1-2H

Molecular Formula: C12H14O3Molecular Weight: 206.237760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: YNNJHKOXXBIJKK-UHFFFAOYSA-N

• 1-Ethyl-3-methylimidazolium hexafluorophosphate
IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;hexafluorophosphate | CAS Registry Number: 155371-19-0
Synonyms: EMIMPF6, AC1MBZ4K, DSSTox_CID_27897, DSSTox_RID_82650, DSSTox_GSID_47921, KSC174G8P, CTK0H4387, MolPort-002-497-836, Tox21_200598, ANW-21563, AKOS005145788, AG-E-03670, RL01995, NCGC00248756-01, NCGC00258152-01, AB1008390, KB-152679, CAS-155371-19-0, E0493, X4743

Molecular Formula: C6H11F6N2PMolecular Weight: 256.129121 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: DPDAKOVGQUGTHH-UHFFFAOYSA-N

• 1-Benzothiophene-3-carboxylic acid
IUPAC Name: 1-benzothiophene-3-carboxylic acid | CAS Registry Number: 5381-25-9
Synonyms: Benzo[b]thiophene-3-carboxylic acid, benzothiophene-3-carboxylic acid, Benzothiophene-3-carboxylicacid, ST089230, AC1LCJCZ, PubChem13463, SureCN72502, ACMC-20a10z, KSC178M8D, MolPort-000-142-441, AC1Q7435, AC1Q7438, ACT02275, ALBB-000361, ANW-52257, SBB007035, STK398230, AKOS000308267, AG-A-64015, AG-L-27810

Molecular Formula: C9H6O2SMolecular Weight: 178.207740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DRBLTQNCQJXSNU-UHFFFAOYSA-N

• 2-Bromoterephthalic acid
IUPAC Name: 2-bromoterephthalic acid | CAS Registry Number: 586-35-6
Synonyms: Bromoterephthalic acid, 115274_ALDRICH, NSC3985, EINECS 209-572-8, SBB012452, 2-Bromo-1,4-benzenedicarboxylic acid, InChI=1/C8H5BrO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13

Molecular Formula: C8H5BrO4Molecular Weight: 245.026900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: QPBGNSFASPVGTP-UHFFFAOYSA-N

• 2-Methoxyphenyl isocyanate
IUPAC Name: 1-isocyanato-2-methoxybenzene | CAS Registry Number: 700-87-8
Synonyms: 2-Methoxyphenylisocyanate, Benzene, 1-isocyanato-2-methoxy-, 1-Isocyanato-2-methoxybenzene, 241598_ALDRICH, ZINC02504345, ALBB-007520, CID69695, EINECS 211-853-5, Isocyanic Acid, 2-Methoxyphenyl Ester, SB 01871, TL8006607

Molecular Formula: C8H7NO2Molecular Weight: 149.146680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SUVCZZADQDCIEQ-UHFFFAOYSA-N

• 4'-Chlorochalcone
IUPAC Name: (E)-1-(4-chlorophenyl)-3-phenylprop-2-en-1-one | CAS Registry Number: 956-02-5
Synonyms: Chalcone, 4'-chloro-, trans-4'-Chlorochalcone, 558303_ALDRICH, AIDS017946, AIDS-017946, ZINC03894724, LS-123852, ST5308951, 2-Propen-1-one, 1-(4-chlorophenyl)-3-phenyl-, (2E)-1-(4-Chlorophenyl)-3-phenyl-2-propen-1-one

Molecular Formula: C15H11ClOMolecular Weight: 242.700240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HIINIOLNGCQCSM-IZZDOVSWSA-N

• 3-decyn-1-ol
IUPAC Name: dec-3-yn-1-ol | CAS Registry Number: 51721-39-2
Synonyms: 3-Decyn-1-ol, 422754_ALDRICH, CID103940, SBB008896, AI3-37272

Molecular Formula: C10H18OMolecular Weight: 154.249320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: YGEQBZUDPQQIFI-UHFFFAOYSA-N

• 2-chloro-5-trifluoromethylbenzaldehyde
IUPAC Name: 2-chloro-5-(trifluoromethyl)benzaldehyde | CAS Registry Number: 82386-89-8
Synonyms: 376825_ALDRICH, ZINC00056837, JRD-0789, CID688181, SBB003466, 2-Chloro-5-(trifluoromethyl)benzaldehyde

Molecular Formula: C8H4ClF3OMolecular Weight: 208.564970 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: OZZOJJJYKYKBNH-UHFFFAOYSA-N

• (2-Nitrophenyl)boronic acid pinacol ester
IUPAC Name: 4,4,5,5-tetramethyl-2-(2-nitrophenyl)-1,3,2-dioxaborolane | CAS Registry Number: 190788-59-1
Synonyms: BM162, ST5408513

Molecular Formula: C12H16BNO4Molecular Weight: 249.070740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: VLJYUDGCEKORNG-UHFFFAOYSA-N

• 3,5-Dimethylisoxazole-4-carboxylic acid
IUPAC Name: 3,5-dimethyl-1,2-oxazole-4-carboxylic acid | CAS Registry Number: 2510-36-3
Synonyms: ZERO/005085, 637653_ALDRICH, 652873_ALDRICH, ALBB-000199, CID75636, EINECS 219-724-5, 4-Isoxazolecarboxylic acid, 3,5-dimethyl-, 3,5-Dimethyl-isoxazole-4-carboxylic acid, BAS 03220386

Molecular Formula: C6H7NO3Molecular Weight: 141.124680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: IJEUISLJVBUNRE-UHFFFAOYSA-N

• 2-Furoic acid hydrazide
IUPAC Name: furan-2-carbohydrazide | CAS Registry Number: 3326-71-4
Synonyms: Furoylhydrazide, 2-Furoylhydrazide, 2-Furohydrazide, 2-Furoic hydrazide, Furoic acid, hydrazide, 2-Furoylhydrazine, 2-Furancarbohydrazide, 2-Furylcarbonylhydrazide, 2-Furancarbohydrazonic acid, Pyromucic acid hydrazide, 2-Furancarbonyl hydrazide, WLN: T5OJ BVMZ, 2-FUROIC ACID, HYDRAZIDE, 2-Furylcarboxylic acid hydrazide, 2-Furancarboxylic acid, hydrazide, 130443_ALDRICH, ARONIS005822, NSC11957, EINECS 222-046-2, NSC 11957

Molecular Formula: C5H6N2O2Molecular Weight: 126.113340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: SKTSVWWOAIAIKI-UHFFFAOYSA-N

• 2-Methylphthalic anhydride
IUPAC Name: 4-methyl-2-benzofuran-1,3-dione | CAS Registry Number: 4792-30-7
Synonyms: 3-Methylphthalic anhydride, 3-Methyl phthalic anhydride, 1,3-Isobenzofurandione, 4-methyl-, Phthalic anhydride, 3-methyl-, 2,3-Toluenedicarboxylic anhydride, METHYLPHTHALIC ANHYDRIDE, 1,3-Isobenzofurandione, methyl-, NSC61875, EINECS 225-344-0, NSC 61875, FR-2241, 30140-42-2

Molecular Formula: C9H6O3Molecular Weight: 162.142140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: TWWAWPHAOPTQEU-UHFFFAOYSA-N

• 2-Pyridine Aldoxime
IUPAC Name: (2E)-2-(nitrosomethylidene)-1H-pyridine | CAS Registry Number: 873-69-8
Synonyms: Picolinaldoxime, Pikolinealdoxime, 2-Pyridylaldoxime, 2-Pyridinaldoxime, Pyridine 2-aldoxime, Pyridine-2-aldoxime, Pyridine-2-aldoximate, Picolinaldehyde, oxime, Pyrine-2-aldoximate, Picolinealdehyde, oxime, alpha-Picolinealdoxime, 2-Formylpyridine oxime, 2-Formylpyridine ketoxime, 2-PYRIDINEALDOXIME, 2-Hydroxyiminomethyl pyridine, 2-Pyridinecarboxaldehyde, oxime, Pyridine-2-carbaldehyde oxime, WLN: T6NJ B1UNQ, 2-Pyridinecarbaldehyde oxime, CCRIS 7743

Molecular Formula: C6H6N2OMolecular Weight: 122.124640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: VRGKDCRTYBCJTA-AATRIKPKSA-N

• 4-Methylaminopyridine
IUPAC Name: N-methylpyridin-4-amine | CAS Registry Number: 1121-58-0
Synonyms: N-Methyl-4-pyridinamine, 4-Pyridinamine, N-methyl-, 4-Mamp, 4-(Methylamino)pyridine, N-methylpyridin-4-amine, JandaJel-4-methylaminopyridine, 195510_ALDRICH, 635170_ALDRICH, M114, AE-842/30373017, InChI=1/C6H8N2/c1-7-6-2-4-8-5-3-6/h2-5H,1H3,(H,7,8

Molecular Formula: C6H8N2Molecular Weight: 108.141120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LSCYTCMNCWMCQE-UHFFFAOYSA-N

• 4-Bromo-2-(trifluoromethyl)benzene sulphonyl chloride
IUPAC Name: 4-bromo-2-(trifluoromethyl)benzenesulfonyl chloride | CAS Registry Number: 176225-10-8
Synonyms: 4-Bromo-2-(trifluoromethyl)benzenesulfonyl chloride, 4-bromo-2-(trifluoromethyl)benzene-1-sulfonyl chloride, 4-bromo-2-trifluoromethylbenzenesulfonyl chloride, SBB063778, 4-bromo-2-(trifluoromethyl)-benzenesulfonyl chloride, 4-bromo-2-(trifluoromethyl)benzene sulphonyl chloride, ACMC-209wwk, AC1MCTO7, AC1Q4IM1, KSC174I2F, 558664_ALDRICH, CTK0H4422, BUTTPARK 99\11-48, MolPort-000-152-461, ACN-S002598, ACT01239, ANW-46914, AKOS005254442, AG-A-72475, AG-E-26613

Molecular Formula: C7H3BrClF3O2SMolecular Weight: 323.514730 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: YFXYEMZYOMNQLD-UHFFFAOYSA-N

• 2-Chlorobenzenesulphonyl chloride
IUPAC Name: 2-chlorobenzenesulfonyl chloride | CAS Registry Number: 2905-23-9
Synonyms: 2-Chlorobenzenesulfonyl chloride, o-Chlorobenzenesulfochloride, Benzenesulfonyl chloride, 2-chloro-, o-Chlorobenzenesulfonyl chloride, 546925_ALDRICH, EINECS 220-807-3, ALBB-000997, BRN 0974321, NSC151229, LS-32137, ST5411802, Benzenesulfonyl chloride, o-chloro- (6CI,7CI,8CI), 4-11-00-00106 (Beilstein Handbook Reference)

Molecular Formula: C6H4Cl2O2SMolecular Weight: 211.065760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KMVZDSQHLDGKGV-UHFFFAOYSA-N

• 4-Bromo-2,6-dichlorobenzenesulfonyl chloride
IUPAC Name: 4-bromo-2,6-dichlorobenzenesulfonyl chloride | CAS Registry Number: 351003-54-8
Synonyms: SBB063773, 4-Bromo-2,6-dichlorobenzene-1-sulfonyl chloride, PubChem11744, AC1MC7CT, ACMC-1ADW5, AC1Q3I2G, 558745_ALDRICH, CTK1C2214, MolPort-001-768-712, ACT01240, ANW-46256, AKOS001063427, AG-A-72416, AG-F-20782, MCULE-2814698038, AK-86428, KB-36913, Q477, (4-bromo-2,6-dichlorophenyl)chlorosulfone, AB1005510

Molecular Formula: C6H2BrCl3O2SMolecular Weight: 324.406880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CKJIKXAPXLPSCL-UHFFFAOYSA-N

• 4-(n-Octyloxy)phenol
IUPAC Name: 4-octoxyphenol | CAS Registry Number: 3780-50-5
Synonyms: 4-n-octyloxyphenol, p-(Octyloxy)phenol, Phenol, 4-(octyloxy)-, EINECS 223-243-6, TL8002779

Molecular Formula: C14H22O2Molecular Weight: 222.323280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HFRUPPHPJRZOCM-UHFFFAOYSA-N

• (R)-N-Acetyl-5-bromo-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole
IUPAC Name: 1-[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]ethanone | CAS Registry Number: 205369-12-6
Synonyms: (R)-1-(5-Bromo-3-((1-methylpyrrolidin-2-yl)methyl)-1H-indol-1-yl)ethanone, 1-acetyl-5-bromo-3-{[(2R)-1-methylpyrrolidin-2-yl]methyl}-1H-indole, PubChem19129, SureCN2180885, CTK8C0593, ANW-64937, AKOS016005371, AK103283, KB-209539

Molecular Formula: C16H19BrN2OMolecular Weight: 335.238860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PIIFSFIOOCHDIK-CQSZACIVSA-N

• (R)-N,N-Dimethyl-1-[(S)-2-(Diphenylphosphino)Ferrocenyl]Ethylamine
Synonyms: (R)-N,N-Dimethyl-1-[(S)-2-(diphenylphosphino)ferrocenyl]ethylamine, SC11323, AC-30398, 700D442, (R)-(-)-N,N-DIMETHYL-1-(2-DIPHENYLPHOSPHINO)FERROCENYLETHYLAMINE, (R)-(-)-N,N-Dimethyl-1-[(S)-2-(diphenylphosphino)ferrocenyl]ethylamine, (R)-(-)-N,N-Dimethyl-1-[(S)-2-(diphenylphosphino)ferrocenyl]ethylamine, 95%

Molecular Formula: C26H28FeNPMolecular Weight: 441.300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RCAFPSZHKFOLEE-ZEECNFPPSA-N

• 2,4-Difluoroacetanilide
IUPAC Name: N-(2,4-difluorophenyl)acetamide | CAS Registry Number: 399-36-0
Synonyms: Maybridge1_001023, 2',4'-Difluoroacetanilide, Acetanilide, 2',4'-difluoro-, NSC51780, Acetamide,N-(2,4-difluorophenyl)-, N-(2,4-Difluorophenyl)acetamide, Aminobenzene, N-acetyl-2,4-difluoro-, BTB03441, CID96093, ZINC00151118, Acetamide, N-(2,4-difluorophenyl)-, SR-01000637070-1

Molecular Formula: C8H7F2NOMolecular Weight: 171.144086 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: WOHLPEUHFSHZAN-UHFFFAOYSA-N

• 4-Chloro-N-Methylaniline
IUPAC Name: 4-chloro-N-methylaniline | CAS Registry Number: 932-96-7
Synonyms: 4-Chloro-N-methylaniline, p-Chloro-N-methylaniline, Benzenamine, 4-chloro-N-methyl-, Aniline, p-chloro-N-methyl-, N-(p-Chlorobenzyl)methylamine, CCRIS 2889, 210358_ALDRICH, EINECS 213-262-8, ZINC00407013, CID70272, BRN 2205846, Aniline, p-chloro-N-methyl- (7CI,8CI), BBV-149387, LS-28178, 4-12-00-01168 (Beilstein Handbook Reference), InChI=1/C7H8ClN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H

Molecular Formula: C7H8ClNMolecular Weight: 141.598120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: XCEYKKJMLOFDSS-UHFFFAOYSA-N


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