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• Acetal
IUPAC Name: 1,1-diethoxyethane | CAS Registry Number: 105-57-7
Synonyms: Diethyl acetal, Diethylacetal, Acetol, polyacetal, Diaethylacetal, Acetaal, Acetaal [Dutch], Ethane, 1,1-diethoxy-, 1,1-DIETHOXYETHANE, Acetal (natural), Acetale [Italian], Acetal diethylique, Ethane, diethoxy-, Ethylidene diethyl ether, Acetaldehyde, diethyl acetal, Acetaldehyde diethyl acetal, Ethylidenediethyl ether, 1,1-Dietossietano, Diaethylacetal [German], Acetaldehyde ethyl acetal

Molecular Formula: C6H14O2Molecular Weight: 118.174160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2


• Acetoxyacetyl chloride
IUPAC Name: (2-chloro-2-oxoethyl) acetate | CAS Registry Number: 13831-31-7
Synonyms: ACETOXYACETYL CHLORIDE, 2-Chloro-2-oxoethyl acetate, 302368_ALDRICH, EINECS 237-542-4, ZINC02019437

Molecular Formula: C4H5ClO3Molecular Weight: 136.533700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3


• Acroleine Diethyl Acetal
IUPAC Name: 3,3-diethoxyprop-1-ene | CAS Registry Number: 3054-95-3
Synonyms: Acrolein acetal, diethoxypropene, Acrolein diethyl acetal, 3,3-Diethoxypropene, Acrolein diethylacetal, Acrolein, diethyl acetal, Propenal diethyl acetal, 3,3-Diethoxy-1-propene, Acrolein, diethylacetal, 1,1-Diethoxy-2-propene, Acrylaldehyde diethyl acetal, 2-Propenal diethyl acetal, 3,3-diethoxyprop-1-ene, 1-PROPENE, 3,3-DIETHOXY-, 3,3-bis(ethyloxy)prop-1-ene, CCRIS 3496, A24001_ALDRICH, Acrolein, diethyl acetal (8CI), EINECS 221-276-0, NSC 60135

Molecular Formula: C7H14O2Molecular Weight: 130.184860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2


• Allylidene Diacetate
IUPAC Name: 1-acetyloxyprop-2-enyl acetate | CAS Registry Number: 869-29-4
Synonyms: Diacetoxypropene, Allylidene diacetate, Allylidene acetate, Acrolein, diacetate, Acrolein diacetate, 3,3-Diacetoxypropene, Shell 345, Shell SD 345, Caswell No. 706, Allylidene di(acetate), 1,1-Diacetoxypropene-2, SD 345 (ester), 2-Propene-1,1-diol, diacetate, Acrolein, monohydrate, diacetate, 2-Propene-1,1-diol diacetate, WLN: 1VOYOV1&1U1, SD-345, 1-acetyloxyprop-2-enyl acetate, NSC 7632, EINECS 212-789-0

Molecular Formula: C7H10O4Molecular Weight: 158.151900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4


• alpha-Cyclohexylmandelic acid
IUPAC Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid | CAS Registry Number: 4335-77-7
Synonyms: Lespedamine, Hexahydrobenzilic acid, ChemDiv2_000672, Phenyl-cyclohexylglycolic acid, RCC 32, Oprea1_543150, MLS001211653, (+-)-Cyclohexylphenylglycolic acid, alpha-Phenylcyclohexaneglycolic acid, EINECS 224-380-4, Cyclohexyl-hydroxy-phenyl-acetic acid, KL-007-M1, NSC 28945, NSC 93969, Cyclohexaneglycolic acid, alpha-phenyl-, NSC28945, NSC93969, SBB008619, FR-2333, Acide phenylcyclohexylhydroxyacetique [French]

Molecular Formula: C14H18O3Molecular Weight: 234.290920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3


• Anthracene-9-Carboxylic Acid
IUPAC Name: anthracene-9-carboxylic acid | CAS Registry Number: 723-62-6
Synonyms: 9-Anthroic acid, 9-Anthracenecarboxylic acid, 9-Carboxyanthracene, ANCA, anthracene-9-carboxylic acid, 9-AC cpd, Spectrum_001457, Tocris-0963, Spectrum3_001767, Spectrum4_000875, Spectrum5_001807, 9-ACA, 9-anthracene carboxylic acid, A89405_ALDRICH, BSPBio_003233, KBioGR_001569, KBioSS_001937, 9-anthroic acid, sodium salt, Anthracene-10-carboxylic acid, DivK1c_000919

Molecular Formula: C15H10O2Molecular Weight: 222.238700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2


• Anthranilic Acid Butyl Ester
IUPAC Name: butyl 2-aminobenzoate | CAS Registry Number: 7756-96-9
Synonyms: BUTYL ANTHRANILATE, Butyl 2-aminobenzoate, n-Butyl anthranilate, n-Butyl o-aminobenzoate, Butyl O-aminobenzoate, Anthranilic acid, butyl ester, FEMA No. 2181, CCRIS 4759, 2-Aminobenzoic acid butyl ester, Benzoic acid, 2-amino-, butyl ester, MLS001050125, W218103_ALDRICH, EINECS 231-816-7, 2-Aminobenzoic acid, butyl ester, NSC 406509, NSC406509, ZINC01599253, AI3-03442, LS-1720, NCGC00091623-01

Molecular Formula: C11H15NO2Molecular Weight: 193.242300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3


• Benzaldehyde Dimethyl Acetal
IUPAC Name: dimethoxymethylbenzene | CAS Registry Number: 1125-88-8
Synonyms: Dimethoxymethylbenzene, Dimethoxyphenylmethane, Benzaldehyde dimethyl acetal, alpha,alpha-Dimethoxytoluene, Ambap3165, (dimethoxymethyl)benzene, Benzaldehyde, dimethyl acetal, dimethoxy-methyl-benzene, BENZENE, (DIMETHOXYMETHYL)-, FEMA No. 2128, Toluene, alpha,alpha-dimethoxy-, W212806_ALDRICH, 226076_ALDRICH, 381438_ALDRICH, 12025_FLUKA, EINECS 214-413-0, .alpha.,.alpha.-Dimethoxytoluene, BENZALDEHYDE DIMETHYLACETAL, Benzaldehyde dimethyl acetal (natural), NSC 286137

Molecular Formula: C9H12O2Molecular Weight: 152.190380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2


• Benzeneacetyl Chloride
IUPAC Name: 2-phenylacetyl chloride | CAS Registry Number: 103-80-0
Synonyms: Benzeneacetyl chloride, PHENYLACETYL CHLORIDE, Acetyl chloride, phenyl-, P16753_ALDRICH, 77830_FLUKA, EINECS 203-146-5, CID7679, UN2577, ZINC02041141, AI3-23871, LS-188101, ST5214049, Phenylacetyl chloride [UN2577] [Corrosive], Phenylacetyl chloride [UN2577] [Corrosive], InChI=1/C8H7ClO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H

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


• Benzyl chloroacetate
IUPAC Name: phenylmethyl 2-chloroacetate | CAS Registry Number: 140-18-1
Synonyms: Monochloroacetate, Benzyl monochloracetate, Benzyl-alpha-chloroacetate, Chloroacetic acid, benzyl ester, Acetic acid, chloro-, benzyl ester, WLN: G1VO1R, Benzyl .alpha.-chloroacetate, PHENYLMETHYL CHLOROACETATE, 349712_ALDRICH, Acetic acid, chloro-, phenylmethyl ester, NSC 8061, EINECS 205-400-0, NSC8061, BRN 2091502, ZINC01586381, AI3-18343, LS-11246, ST5411078, 4-06-00-02264 (Beilstein Handbook Reference)

Molecular Formula: C9H9ClO2Molecular Weight: 184.619560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2


• Beta Naphthoic Acid
IUPAC Name: naphthalene-2-carboxylic acid | CAS Registry Number: 93-09-4
Synonyms: 2-Naphthoic acid, Isonaphthoic acid, beta-Naphthoic acid, 2-Maythic acid, 2-Naphthalenecarboxylic acid, 2-Carboxynaphthalene, ne-2-carboxylic acid, .beta.-Naphthoic acid, WLN: L66J CVQ, Naphthalene-beta-carboxylic acid, NAPHTHALENE-2-CARBOXYLIC ACID, 180246_ALDRICH, 70400_FLUKA, CHEBI:36106, EINECS 202-217-8, NSC 59901, Naphthalene-.beta.-carboxylic acid, NSC59901, BRN 0972039, AI3-16903

Molecular Formula: C11H8O2Molecular Weight: 172.180020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2


• Cinnamonitrile
IUPAC Name: (E)-3-phenylprop-2-enenitrile | CAS Registry Number: 1885-38-7
Synonyms: Styryl cyanide, Cinnamyl nitrile, beta-Cyanostyrene, 3-Phenylacrylonitrile, trans-Cinnamonitrile, (E)-Cinnamonitrile, .beta.-Cyanostyrene, beta-Phenylacrylonitrile, Cinnamonitrile, (E)-, Acrylonitrile, 3-phenyl-, 1-cyano-2-phenylethene, 3-Phenyl-2-propenenitrile, 1-Cyano-2-phenylethylene, 2-Propenenitrile, 3-phenyl-, (E)3-Phenylacrylonitrile, (E)-3-Phenylacrylonitrile, WLN: NC1U1R, trans-3-Phenylpropenonitrile, C81004_ALDRICH, trans-beta-Phenylacrylonitrile

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


• Cyclohexylmandelic acid methyl ester
IUPAC Name: methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate | CAS Registry Number: 10399-13-0
Synonyms: Methyl cyclohexylphenylglycolate, Methyl alpha-cyclohexylmandelate, EINECS 233-862-3

Molecular Formula: C15H20O3Molecular Weight: 248.317500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3


• D-Serine
IUPAC Name: (2R)-2-amino-3-hydroxypropanoic acid | CAS Registry Number: 312-84-5
Synonyms: D-serine, serine, Serine D-form, L-serine, DL-Serine, D-Serin, L-ser, beta-Hydroxyalanine, 1pb8, nchembio.145-comp14, SERINE (L), Biomol-NT_000197, Lopac0_001088, S4250_SIGMA, BPBio1_001226, CHEBI:16523, EINECS 206-229-4, NSC 77689, AIDS071644, AIDS-071644

Molecular Formula: C3H7NO3Molecular Weight: 105.092580 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4


• Decanoyl Chloride
IUPAC Name: decanoyl chloride | CAS Registry Number: 112-13-0
Synonyms: Decanoyl chloride, n-Decanoyl chloride, Capric acid chloride, 140295_ALDRICH, EINECS 203-938-0, CID66982, LS-185318

Molecular Formula: C10H19ClOMolecular Weight: 190.710260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1


• Diethyl 4-toluenesulfonyloxymethylphosphonate
IUPAC Name: diethoxyphosphorylmethyl 4-methylbenzenesulfonate | CAS Registry Number: 31618-90-3
Synonyms: ZINC04352618, Diethyl (tosyloxy)methylphosphonate, BBV-001976, CID4193599, TL8002421

Molecular Formula: C12H19O6PSMolecular Weight: 322.314421 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6


• Diethyl Diethoxyethyl Phosphonate
IUPAC Name: 1-(2-diethoxyphosphoryl-1-ethoxyethoxy)ethane | CAS Registry Number: 7598-61-0
Synonyms: D99250_ALDRICH, Diethyl 2,2-diethoxyethylphosphonate, CID82071, NSC77101, EINECS 231-504-0, NSC407851, ZINC01708365, Diethyl phosphonacetaldehyde diethyl acetal, Diethyl (2,2-diethoxyethyl)phosphonate, Diethyl phosphonoacetaldehyde diethyl acetal

Molecular Formula: C10H23O5PMolecular Weight: 254.260381 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5


• Diethyl Phosphonomethanol
IUPAC Name: diethoxyphosphorylmethanol | CAS Registry Number: 3084-40-0
Synonyms: Diethyl hydroxymethylphosphonate, Diethyl (hydroxymethyl)phosphonate, 392626_ALDRICH, CID76513, EINECS 221-391-6, ZINC02560501, (Hydroxymethyl)phosphonic acid, diethyl ester, Phosphonic acid, (hydroxymethyl)-, diethyl ester, 83495-79-8

Molecular Formula: C5H13O4PMolecular Weight: 168.128081 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4


• Diethylphosphonoacetic Acid
IUPAC Name: 2-diethoxyphosphorylacetic acid | CAS Registry Number: 3095-95-2
Synonyms: Diethylphosphonoacetic acid, 268127_ALDRICH, NSC272281, CID36704

Molecular Formula: C6H13O5PMolecular Weight: 196.138181 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5


• Diisopropyl Phosphite
IUPAC Name: oxo-di(propan-2-yloxy)phosphanium | CAS Registry Number: 1809-20-7
Synonyms: Diisopropyl phosphite, Diisopropyl phosphonate, Isopropyl phosphonate, Diisopropylphosphonate, Diisopropylphosphine oxide, O,O-Diisopropyl phosphonate, O,O-Diisopropyl phosphite, Diisopropyl hydrogen phosphite, Phosphonic acid, diisopropyl ester, Diisopropyl hydrogen phosphonate, DIISOPROPYLPHOSPHITE, DIISOPROPYLPHOSPHONO GROUP, Phosphonic acid, bis(1-methylethyl) ester, EINECS 217-317-7, Isopropyl phosphonate ((C3H7O)2HPO), NSC 82344, oxo-di(propan-2-yloxy)phosphanium, WLN: 1Y1&OPHO&OY1&1, NSC82344, BRN 1703675

Molecular Formula: C6H14O3P+Molecular Weight: 165.147321 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3


• Dimethoxy-3,4-Acetophenone
IUPAC Name: 1-(3,4-dimethoxyphenyl)ethanone | CAS Registry Number: 1131-62-0
Synonyms: Acetoveratrone, 3',4'-Dimethoxyacetophenone, Acetophenone, 3',4'-dimethoxy-, Ethanone, 1-(3,4-dimethoxyphenyl)-, 3,4-DIMETHOXYACETOPHENONE, W510424_ALDRICH, 1-(3,4-Dimethoxyphenyl)ethanone, 3,4-Dimethoxyphenyl methyl ketone, 156639_ALDRICH, 38558_FLUKA, Methyl 3,4-dimethoxyphenyl ketone, NSC16944, NSC18708, EINECS 214-468-0, NSC 16944, NSC 18708, ZINC00154459, 1-(3,4-Dimethoxyphenyl)ethan-1-one, Acetophenone, 3',4'-dimethoxy- (8CI), AI3-11163

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3


• Dimethyl 2-Phosphonoethanol
IUPAC Name: 2-dimethoxyphosphorylethanol | CAS Registry Number: 54731-72-5
Synonyms: ZINC02584451, Dimethyl (2-hydroxyethyl)phosphonate, EINECS 259-310-1, CID2733833

Molecular Formula: C4H11O4PMolecular Weight: 154.101501 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4


• Dimethyl Anthranilate
IUPAC Name: methyl 2-(methylamino)benzoate | CAS Registry Number: 85-91-6
Synonyms: Dimethyl anthranilate, Methyl methanthranilate, Methyl methylanthranilate, Methyl methylaminobenzoate, 2-Methylaminomethyl benzoate, METHYL N-METHYLANTHRANILATE, Methyl-N-methylanthranilate, Methyl o-(methylamino)benzoate, Methyl N-methyl-o-anthranilate, Methyl 2-(methylamino)benzoate, FEMA No. 2718, CCRIS 2846, WLN: 1OVR BM1, Dimethyl anthranilate (natural), N-Methyl methyl anthranilate, HSDB 2784, MLS000515990, W271802_ALDRICH, W271810_ALDRICH, Anthranilic acid, N-methyl-, methyl ester

Molecular Formula: C9H11NO2Molecular Weight: 165.189140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3


• Dimethyl-2,5-Thiophenedicarboxylate
IUPAC Name: dimethyl thiophene-2,5-dicarboxylate | CAS Registry Number: 4282-34-2
Synonyms: Dimethyl 2,5-thiophenedicarboxylate, 2,5-Thiophenedicarboxylic acid dimethyl ester, methyl 5-(methoxycarbonyl)thiophene-2-carboxylate, SureCN70027, AC1LCB96, AC1Q43I0, CTK4I6640, MolPort-000-668-893, dimethyl thiophene-2,5-dicarboxylate, SBB066356, ZINC00145803, AKOS002350036, AG-F-51988, MCULE-7007850557, T760, 2,5-dimethyl thiophene-2,5-dicarboxylate, KB-165787, FT-0652279, ST45027024, 2,5-Thiophenedicarboxylicacid, 2,5-dimethyl ester

Molecular Formula: C8H8O4SMolecular Weight: 200.211720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5


• DL-2-Methylbutyryl Chloride
IUPAC Name: (2S)-2-methylbutanoyl chloride | CAS Registry Number: 57526-28-0
Synonyms: dl-2-Methylbutyryl chloride, ZINC04284445, CID7168193

Molecular Formula: C5H9ClOMolecular Weight: 120.577360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1


• Dodecane Nitrile
IUPAC Name: dodecanenitrile | CAS Registry Number: 2437-25-4
Synonyms: Dodecanenitrile, LAURONITRILE, Undecyl cyanide, Dodecanonitrile, Lauric nitrile, Decylacetonitrile, 1-Cyanoundecane, Dodecane nitrile, Lauric acid nitrile, n-Undecyl cyanide, Lauronitrile (8CI), U1605_ALDRICH, WLN: NC11, DODECANOIC ACID,NITRILE, NSC 1804, EINECS 219-440-1, NSC1804, BRN 0970348, AI3-00311, NCGC00164232-01

Molecular Formula: C12H23NMolecular Weight: 181.317720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1


• Enanthic Anhydride
IUPAC Name: heptanoyl heptanoate | CAS Registry Number: 626-27-7
Synonyms: Heptanoic anhydride, Enanthic anhydride, Heptanoyl anhydride, Heptanoic acid, anhydride, n-Heptanoic anhydride, n-Heptanoic acid anhydride, NSC67902, EINECS 210-940-5, NSC 67902, AI3-06144, TL8004215

Molecular Formula: C14H26O3Molecular Weight: 242.354440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3


• Ethyl (E)-Hex-2-Enoate
IUPAC Name: ethyl (E)-hex-2-enoate | CAS Registry Number: 27829-72-7
Synonyms: Ethyl 2-hexenoate, Ethyl trans-2-hexenoate, Ethyl hex-2-enoate, 2-Hexenoic acid, ethyl ester, Ethyl (E)-2-hexenoate, Ethyl (E)hex-2-enoate, FEMA No. 3675, EINECS 216-296-1, EINECS 248-681-5, ZINC02384556, 2-Hexenoic acid, ethyl ester, (E)-, CID5364778, 2-Hexenoic acid, ethyl ester, (2E)-, AI3-33376, 1552-67-6

Molecular Formula: C8H14O2Molecular Weight: 142.195560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2


• Ethyl diethoxyphosphinylformate
IUPAC Name: ethyl diethoxyphosphorylformate | CAS Registry Number: 1474-78-8
Synonyms: Triethyl phosphonoformate, Triethyl carboxyphosphonate, Triethyl phosphonomethanoate, Diethyl carbethoxyphosphonate, Diethyl ethoxycarbonylphosphonate, Phosphinecarboxylic acid, diethoxy-, ethyl ester, oxide, ACMC-209cyk, AC1L22JS, Formic acid, triethyl ester, Ethyldiethoxyphosphinylformate, Ethyl diethyl-phosphonoformate, ethyl diethoxyphosphorylformate, 135119_ALDRICH, CTK8B0809, MolPort-003-926-321, EINECS 216-016-8, ANW-21066, NSC108684, ZINC01700869, AKOS015902298

Molecular Formula: C7H15O5PMolecular Weight: 210.164762 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5


• Ethyl Thiophene-2-Glyoxylate
IUPAC Name: ethyl 2-oxo-2-thiophen-2-ylacetate | CAS Registry Number: 4075-58-5
Synonyms: Ethyl thiophene-2-glyoxylate, Ethyl-2-thiopheneglyoxylate, Ethyl alpha-oxothiophen-2-acetate, CID77693, EINECS 223-793-7, ZINC02146785, T5655037

Molecular Formula: C8H8O3SMolecular Weight: 184.212320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3


• Furylacrylic Acid
IUPAC Name: (E)-3-furan-2-ylprop-2-enoic acid | CAS Registry Number: 539-47-9
Synonyms: Furacrylic acid, Furanacrylic acid, Furylacrylic acid, 2-Furalacetic acid, Furfurylideneacetic acid, 3-(2-Furyl)acrylic acid, 2-FURANACRYLIC ACID, Furan-2-acrylic acid, 3-(2-Furyl)propenoic acid, beta-(2-Furyl)acrylic acid, trans-2-Furanacrylic acid, 2-Furanacrylic acid, (E)-, 2-Propenoic acid, 3-(2-furanyl)-, Acrylic acid, beta-2-furyl-, F20807_ALDRICH, trans-beta-2-Furylacrylic acid, 3-(2-Furanyl)-2-propenoic acid, ARONIS000345, EINECS 208-718-8, NSC 32626

Molecular Formula: C7H6O3Molecular Weight: 138.120740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3


• Heptanoyl Chloride
IUPAC Name: heptanoyl chloride | CAS Registry Number: 2528-61-2
Synonyms: HEPTANOYL CHLORIDE, Enanthic chloride, Oenanthic chloride, n-Heptanoyl chloride, 147249_ALDRICH, 75210_FLUKA, CID17313, EINECS 219-775-3, ZINC02036078

Molecular Formula: C7H13ClOMolecular Weight: 148.630520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1


• Isonipecotic Acid Ethyl Ester
IUPAC Name: ethyl piperidine-4-carboxylate | CAS Registry Number: 1126-09-6
Synonyms: Ethyl isonipecotate, Ethyl 4-piperidinecarboxylate, Ethyl piperidine-4-carboxylate, Oprea1_864652, E33505_ALDRICH, CID70770, NSC93792, EINECS 214-416-7, SBB004006, SDCCGMLS-0066232.P001, FS000817, TL8000364

Molecular Formula: C8H15NO2Molecular Weight: 157.210200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3


• Isopentenyl Pyrophosphate
IUPAC Name: 3-methylbut-3-enyl phosphono hydrogen phosphate | CAS Registry Number: 358-71-4
Synonyms: isopentenyl-pp, isopentenyl diphosphate, isopentenyl pyrophosphate, delta3-Isopentenyl diphosphate, [14C]IPP, delta3-isopentenyl pyrophosphate, IPP001, delta-3-Isopentenyl pyrophosphat, CHEBI:16584, 3-methyl 3-butenyl pyrophosphate, 3-Methyl-3-butenyl pyrophosphate, CID1195, delta3-methyl-3-butenyl diphosphate, LMPR01010008, Mono(3-methyl-3-butenyl) diphosphate, DB04714, 3-methylbut-3-en-1-yl trihydrogen diphosphate, 3-methylbut-3-enyl phosphono hydrogen phosphate, C00129, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE

Molecular Formula: C5H12O7P2Molecular Weight: 246.092102 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7


• Methyl 2-Hexenoate
IUPAC Name: 2-methylhex-2-enoate | CAS Registry Number: 2396-77-2

Molecular Formula: C7H11O2-Molecular Weight: 127.161040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2


• Methyl 3,5-Dibromo 2-Amino Benzoate
IUPAC Name: methyl 2-amino-3,5-dibromobenzoate | CAS Registry Number: 606-00-8
Synonyms: Methyl 3,5-dibromoanthranilate, 297801_ALDRICH, Methyl 2-amino-3,5-dibromobenzoate, NSC3823, AIDS020052, AIDS-020052, NSC 3823, SBB002959, ZINC00039100, Anthranilic acid, 3,5-dibromo-, methyl ester, Methyl-3,5-dibromanthranilat [Danish], Methyl-3,5-dibromanthranilat [German], Methyl-3,5-dibroomantranilaat [Dutch], 3,5-Dibromo anthranilic acid methylester, 3,5-Dibromanthranilic acid, methyl ester, 3,5-Dibromoantranilato de metilo [Spanish], 3,5-Dibromoantranilato di metile [Italian], EE4009908, 3,5-Dibromoanthranilate de methyle [French], Benzoic acid, 2-amino-3,5-dibromo-, methyl ester

Molecular Formula: C8H7Br2NO2Molecular Weight: 308.954680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3


• Methyl 3-amino-4-methylthiophene-2-carboxylate
IUPAC Name: methyl 3-amino-4-methylthiophene-2-carboxylate | CAS Registry Number: 85006-31-1
Synonyms: 546658_ALDRICH, EINECS 285-060-8, Methyl 3-amino-4-methyl-2-thenoate, ZINC00082002, SDCCGMLS-0066226.P001, ST5406794, TL8005552, 3-Amino-4-methylthiophenecarboxylic acid methyl ester, 2-Thiophenecarboxylic acid, 3-amino-4-methyl-, methyl ester

Molecular Formula: C7H9NO2SMolecular Weight: 171.216860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3


• Methyl 3-Chloro-4-Methylthiophene-2-Carboxylate
IUPAC Name: methyl 3-chloro-4-methylthiophene-2-carboxylate | CAS Registry Number: 175137-11-8
Synonyms: methyl 3-chloro-4-methylthiophene-2-carboxylate, ST51041832, ZINC00082009, AC1MCRT7, Maybridge1_003874, SureCN2987502, CTK4D5323, HMS552I02, MolPort-000-144-374, ANW-71889, SBB091202, AKOS006228992, AG-E-24946, QC-6054, AK-63513, BP-12497, KB-78615, FT-0628549, Methyl 3-chloro-4-methyl-2-thiophenecarboxylate, A811771

Molecular Formula: C7H7ClO2SMolecular Weight: 190.647280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3


• Methyl Benzoyl Formate
IUPAC Name: methyl 2-oxo-2-phenylacetate | CAS Registry Number: 15206-55-0
Synonyms: Methyl benzoylformate, Methyl phenylglyoxylate, Methyl oxophenylacetate, Ambap291, M30507_ALDRICH, methyl 2-oxo-2-phenylacetate, Phenylglyoxylic acid, methyl ester, Phenylglyoxylic acid methyl ester, Glyoxylic acid, phenyl-, methyl ester, EINECS 239-263-3, NSC171206, NSC409881, ZINC02166852, NSC 171206, Benzeneacetic acid, .alpha.-oxo-, methyl ester, AI3-07037, TL8001121, Benzeneacetic acid, alpha-oxo-, methyl ester, 71833-42-6, 81065-82-9

Molecular Formula: C9H8O3Molecular Weight: 164.158020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3


• Methyl Succinyl Chloride
IUPAC Name: methyl 4-chloro-4-oxobutanoate | CAS Registry Number: 1490-25-1
Synonyms: Methyl succinyl chloride, Methyl 4-chloro-4-oxobutyrate, methyl 4-chloro-4-oxobutanoate, C11049_ALDRICH, NSC10757, 14195_FLUKA, Methyl 3-(chloroformyl)propionate, 3-(Carbomethoxy)propionyl chloride, ALBB-006318, CID73888, EINECS 216-077-0, NSC 10757, Succinic acid monomethylester chloride, Butanoic acid, 4-chloro-4-oxo-, methyl ester, 80782-79-2

Molecular Formula: C5H7ClO3Molecular Weight: 150.560280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3


• Methylene Phosphonic Acid
IUPAC Name: 2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]oxypropane | CAS Registry Number: 1660-95-3
Synonyms: PHOSPHONIC ACID ANALOG, Tetraisopropyl methylenediphosphonate, 426431_ALDRICH, tetra-i-Propylmethylenediphosphonate, AIDS030905, AIDS-030905, EINECS 216-765-0, NSC226577, Tetraisopropyl methylenebisphosphonate, ZINC01757468, Methylenediphosphonic acid tetraisopropyl ester, Phosphonic acid, methylenebis-, tetrakis(1-methylethyl) ester, Phosphonic acid, methylenedi-, tetraisopropyl ester

Molecular Formula: C13H30O6P2Molecular Weight: 344.321222 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6


• Methylsuccinic acid
IUPAC Name: 2-methylbutanedioic acid | CAS Registry Number: 498-21-5
Synonyms: Pyrotartaric acid, 2-Methylsuccinic acid, Succinic acid, methyl-, Butanedioic acid, methyl-, Methyl succinic acid, METHYLSUCCINIC ACID, 1,2-Propanedicarboxylic acid, CCRIS 6068, M81209_ALDRICH, NSC 5276, Succinic acid, methyl- (8CI), 65910_FLUKA, EINECS 207-857-1, NSC5276, STK301547, LS-1301, InChI=1/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9, 636-60-2, MEZ

Molecular Formula: C5H8O4Molecular Weight: 132.114620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4


• Methylthiazoline
IUPAC Name: 2-methyl-4,5-dihydro-1,3-thiazole | CAS Registry Number: 2346-00-1
Synonyms: 2-Methylthiazoline, Methyl-2-thiazoline, 2-Methyl-2-thiazoline, Thiazole, 4,5-dihydro-2-methyl-, 2-THIAZOLINE, 2-METHYL-, 4,5-Dihydro-2-methylthiazole, M83406_ALDRICH, W518123_ALDRICH, EINECS 219-071-6, ZINC02038687, AIDS230595, Methyl-2 delta-2 thiazoline [French], AIDS-230595, CID16867, BRN 0104274, LS-150956, 4-27-00-00921 (Beilstein Handbook Reference), InChI=1/C4H7NS/c1-4-5-2-3-6-4/h2-3H2,1H

Molecular Formula: C4H7NSMolecular Weight: 101.170080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1


• N-(3-hydroxyphenyl)-4-toluidine
IUPAC Name: 3-(4-methylanilino)phenol | CAS Registry Number: 61537-49-3
Synonyms: m-(p-Toluidino)phenol, EINECS 262-832-2

Molecular Formula: C13H13NOMolecular Weight: 199.248420 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2


• N-Benzyl-3-Chloro-N-Methylpropylamine Hydrochloride
IUPAC Name: benzyl-(3-chloropropyl)-methylazanium chloride | CAS Registry Number: 5814-44-8
Synonyms: NSC 87582, CID22066, LS-43308, N-(3-Chloropropyl)-N-methylbenzylamine hydrochloride, BENZYLAMINE, N-(3-CHLOROPROPYL)-N-METHYL-, HYDROCHLORIDE, Benzenemethanamine, N-(3-chloropropyl)-N-methyl-, hydrochloride, Benzenemethanamine, N-(3-chloropropyl)-N-methyl-, hydrochloride (9CI)

Molecular Formula: C11H17Cl2NMolecular Weight: 234.165380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1


• O-Hydroxy Propiophenone
IUPAC Name: 1-(2-hydroxyphenyl)propan-1-one | CAS Registry Number: 610-99-1
Synonyms: o-Propiophenol, 2-Hydroxypropiophenone, 2-Propionylphenol, 2'-Hydroxypropiophenone, 2-(Propionyl)phenol, o-Hydroxypropiophenone, ortho-Hydroxypropiophenone, Propiophenone, 2'-hydroxy-, H55103_ALDRICH, 1-Propanone, 1-(2-hydroxyphenyl)-, STOCK4S-98770, NSC3785, 1-(2-hydroxyphenyl)propan-1-one, EINECS 210-244-1, ZINC00391093, AI3-11684, 1-(2-HYDROXYPHENYL)-PROPANONE (2-HYDROXY-PROPIOPHENONE), InChI=1/C9H10O2/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6,11H,2H2,1H

Molecular Formula: C9H10O2Molecular Weight: 150.174500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2


• p-Anisaldehyde Dimethyl Acetal
IUPAC Name: 1-(dimethoxymethyl)-4-methoxybenzene | CAS Registry Number: 2186-92-7
Synonyms: Anisaldehyde dimethyl acetal, p-(Dimethoxymethyl)anisole, Anisicaldehyde dimethylacetal, p-Anisaldehyde dimethyl acetal, alpha,alpha,4-Trimethoxytoluene, 10445_FLUKA, 4-Methoxybenzaldehyddimethylacetal, CID75140, EINECS 218-577-4, 4-Methoxybenzaldehyde dimethyl acetal, ZINC04283829, 1-(Dimethoxymethyl)-4-methoxybenzene, Benzene, 1-(dimethoxymethyl)-4-methoxy-, InChI=1/C10H14O3/c1-11-9-6-4-8(5-7-9)10(12-2)13-3/h4-7,10H,1-3H

Molecular Formula: C10H14O3Molecular Weight: 182.216360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3


• P-Chloro Propiophenone
IUPAC Name: 1-(4-chlorophenyl)propan-1-one | CAS Registry Number: 6285-05-8
Synonyms: p-Chloropropiophenone, 4'-Chloropropiophenone, Propiophenone, p-chloro-, 4-Chloropropiophenone, Ethyl p-chlorophenyl ketone, PROPIOPHENONE, 4'-CHLORO-, USAF EK-5296, 1-Propanone, 1-(4-chlorophenyl)-, WLN: GR DV2, C69209_ALDRICH, NSC 5600, EINECS 228-511-6, NSC5600, AIDS167174, AIDS-167174, BRN 1100638, ZINC00404333, AI3-23870, TL806126, LS-125094

Molecular Formula: C9H9ClOMolecular Weight: 168.620160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1


• P-Hydroxy Valerophenone
IUPAC Name: 1-(4-hydroxyphenyl)pentan-1-one | CAS Registry Number: 2589-71-1
Synonyms: p-Valerylphenol, 4-Valerylphenol, p-Hydroxyvalerophenone, 4'-Hydroxyvalerophenone, Valerophenone, 4'-hydroxy-, ChemDiv3_014404, 1-Pentanone, 1-(4-hydroxyphenyl)-, MLS000522198, 245143_ALDRICH, NSC49186, NSC49321, EINECS 219-978-7, NSC 49186, NSC 49321, ZINC01681257, IDI1_030202, SMR000132606, AI3-11694, ST5405539, EU-0033275

Molecular Formula: C11H14O2Molecular Weight: 178.227660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2


• p-Hydroxybenzophenone
IUPAC Name: (4-hydroxyphenyl)-phenylmethanone | CAS Registry Number: 1137-42-4
Synonyms: p-Benzoylphenol, 4-Hydroxybenzophenone, 4-Benzoylphenol, P-HYDROXYBENZOPHENONE, Benzophenone, 4-hydroxy-, 4'-Hydroxybenzophenone, para-hydroxybenzophenone, (4-Hydroxyphenyl)phenylmethanone, Methanone, (4-hydroxyphenyl)phenyl-, (4-Hydroxyphenyl)(phenyl)methanone, H20202_ALDRICH, nchembio.2007.32-comp8, 4-HYDROXY-BENZOPHENONE, NSC 1887, 4-hydroxybenzophenone, ion(1-), 54800_FLUKA, EINECS 214-507-1, NSC1887, STK045122, ZINC00388760

Molecular Formula: C13H10O2Molecular Weight: 198.217300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2


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