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Profile: PCAS is a supplier of fine chemicals and custom synthesis services for pharmaceutical and specialty chemical companies. We offer acetophenones, benzophenones, propiophenones, acids, esters, acid chlorides, nitrile derivatives, phosphorus derivatives, acrolein derivatives and thiophene derivatives.

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• Acetal
IUPAC Name: 1,1-diethoxyethane | CAS Registry Number: 105-57-7
Synonyms: Acetal, 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]

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

InChIKey: DHKHKXVYLBGOIT-UHFFFAOYSA-N

• 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, 13831-31-7

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

InChIKey: HZDNNJABYXNPPV-UHFFFAOYSA-N

• 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

InChIKey: MCIPQLOKVXSHTD-UHFFFAOYSA-N

• 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

InChIKey: TXECTBGVEUDNSL-UHFFFAOYSA-N

• alpha-Cyclohexylmandelic acid
IUPAC Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid | CAS Registry Number: 4335-77-7
Synonyms: Lespedamine, Hexahydrobenzilic acid, alpha-Cyclohexylmandelic 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

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

InChIKey: YTRNSQPXEDGWMR-UHFFFAOYSA-N

• 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

InChIKey: XGWFJBFNAQHLEF-UHFFFAOYSA-N

• 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

InChIKey: HUIYGGQINIVDNW-UHFFFAOYSA-N

• 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

InChIKey: HEVMDQBCAHEHDY-UHFFFAOYSA-N

• 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, 103-80-0

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

InChIKey: VMZCDNSFRSVYKQ-UHFFFAOYSA-N

• Benzyl chloroacetate
IUPAC Name: phenylmethyl 2-chloroacetate | CAS Registry Number: 140-18-1
Synonyms: Benzyl chloroacetate, 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

InChIKey: SOGXBRHOWDEKQB-UHFFFAOYSA-N

• 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

InChIKey: UOBYKYZJUGYBDK-UHFFFAOYSA-N

• Cinnamonitrile
IUPAC Name: (E)-3-phenylprop-2-enenitrile | CAS Registry Number: 1885-38-7
Synonyms: Cinnamonitrile, 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

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

InChIKey: ZWKNLRXFUTWSOY-QPJJXVBHSA-N

• 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, 10399-13-0

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

InChIKey: SPTZOODMHSABLY-UHFFFAOYSA-N

• 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

InChIKey: MTCFGRXMJLQNBG-UWTATZPHSA-N

• 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, 112-13-0

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

InChIKey: IPIVAXLHTVNRBS-UHFFFAOYSA-N

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

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

InChIKey: UOEFFQWLRUBDME-UHFFFAOYSA-N

• 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, 7598-61-0

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

InChIKey: LUQYELQXRPNKRY-UHFFFAOYSA-N

• 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, 3084-40-0, 83495-79-8

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

InChIKey: RWIGWWBLTJLKMK-UHFFFAOYSA-N

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

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

InChIKey: DVQMPWOLBFKUMM-UHFFFAOYSA-N

• 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

InChIKey: BJLZAAWLLPMZQR-UHFFFAOYSA-N

• 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

InChIKey: IQZLUWLMQNGTIW-UHFFFAOYSA-N

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

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

InChIKey: TZPPDWDHNIMTDQ-UHFFFAOYSA-N

• 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

InChIKey: GVOWHGSUZUUUDR-UHFFFAOYSA-N

• 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, 4282-34-2, 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

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

InChIKey: CYUGNCLRGFKPAE-UHFFFAOYSA-N

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

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

InChIKey: XRPVXVRWIDOORM-BYPYZUCNSA-N

• 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

InChIKey: VXCUURYYWGCLIH-UHFFFAOYSA-N

• 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, 626-27-7

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

InChIKey: DAPZDAPTZFJZTO-UHFFFAOYSA-N

• 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, 27829-72-7, 1552-67-6

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

InChIKey: SJRXWMQZUAOMRJ-VOTSOKGWSA-N

• Ethyl diethoxyphosphinylformate
IUPAC Name: ethyl diethoxyphosphorylformate | CAS Registry Number: 1474-78-8
Synonyms: Ethyl diethoxyphosphinylformate, Triethyl phosphonoformate, 1474-78-8, 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

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

InChIKey: NOJFJZZMRDSOLM-UHFFFAOYSA-N

• 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, 4075-58-5

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

InChIKey: GHOVLEQTRNXASK-UHFFFAOYSA-N

• 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

InChIKey: ZCJLOOJRNPHKAV-ONEGZZNKSA-N

• 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, 2528-61-2

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

InChIKey: UCVODTZQZHMTPN-UHFFFAOYSA-N

• 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, 1126-09-6

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

InChIKey: RUJPPJYDHHAEEK-UHFFFAOYSA-N

• 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

InChIKey: NUHSROFQTUXZQQ-UHFFFAOYSA-N

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

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

InChIKey: AKOVMBAFZSPEQU-UHFFFAOYSA-M

• 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

InChIKey: NGXVMFCGYYHEGC-UHFFFAOYSA-N

• 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, Methyl 3-amino-4-methylthiophene-2-carboxylate, ZINC00082002, SDCCGMLS-0066226.P001, ST5406794, TL8005552, 3-Amino-4-methylthiophenecarboxylic acid methyl ester, 2-Thiophenecarboxylic acid, 3-amino-4-methyl-, methyl ester, 85006-31-1

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

InChIKey: YICRPERKKBDRSP-UHFFFAOYSA-N

• 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, 175137-11-8, 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

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

InChIKey: BUFSIDWTJVUAER-UHFFFAOYSA-N

• 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, 15206-55-0, 71833-42-6

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

InChIKey: YLHXLHGIAMFFBU-UHFFFAOYSA-N

• 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, 1490-25-1, 80782-79-2

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

InChIKey: SRXOJMOGPYFZKC-UHFFFAOYSA-N

• 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, 1660-95-3

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

InChIKey: ODTQUKVFOLFLIQ-UHFFFAOYSA-N

• 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, 498-21-5, 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

InChIKey: WXUAQHNMJWJLTG-UHFFFAOYSA-N

• 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, 2346-00-1

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

InChIKey: JUIQOABNSLTJSW-UHFFFAOYSA-N

• 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, 61537-49-3

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

InChIKey: TWYLNUMRYUFZIN-UHFFFAOYSA-N

• 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), 5814-44-8

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

InChIKey: SIJFFXGHQCYMPP-UHFFFAOYSA-N

• 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, 610-99-1, 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

InChIKey: KDUWXMIHHIVXER-UHFFFAOYSA-N

• 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-, 2186-92-7, 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

InChIKey: NNHYAHOTXLASEA-UHFFFAOYSA-N

• 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

InChIKey: ADCYRBXQAJXJTD-UHFFFAOYSA-N

• 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

InChIKey: ZKCJJGOOPOIZTE-UHFFFAOYSA-N

• 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

InChIKey: NPFYZDNDJHZQKY-UHFFFAOYSA-N


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