Organic acids and derivatives
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Ethyl (ethoxymethylene)cyanoacetate, 98%
CAS: 94-05-3 Molecular Formula: C8H11NO3 Molecular Weight (g/mol): 169.18 MDL Number: MFCD00009136 InChI Key: KTMGNAIGXYODKQ-SREVYHEPSA-N Synonym: ethyl ethoxymethylene cyanoacetate,e-ethyl 2-cyano-3-ethoxyacrylate,ethyl 2-cyano-3-ethoxyacrylate,ethyl 3-ethoxy-2-cyanoacrylate,ethyl 2e-2-cyano-3-ethoxyprop-2-enoate,ethyl cyano ethoxymethylene acetate,2-propenoic acid, 2-cyano-3-ethoxy-, ethyl ester,2-cyano-3-ethoxy-2-propenoic acid ethyl ester,2-cyano-3-ethoxyacrylic acid ethyl ester,ethyl 2e-2-cyano-3-ethoxy-2-propenoate PubChem CID: 1715183 IUPAC Name: ethyl (E)-2-cyano-3-ethoxyprop-2-enoate SMILES: CCO\C=C(\C#N)C(=O)OCC
| PubChem CID | 1715183 |
|---|---|
| CAS | 94-05-3 |
| Molecular Weight (g/mol) | 169.18 |
| MDL Number | MFCD00009136 |
| SMILES | CCO\C=C(\C#N)C(=O)OCC |
| Synonym | ethyl ethoxymethylene cyanoacetate,e-ethyl 2-cyano-3-ethoxyacrylate,ethyl 2-cyano-3-ethoxyacrylate,ethyl 3-ethoxy-2-cyanoacrylate,ethyl 2e-2-cyano-3-ethoxyprop-2-enoate,ethyl cyano ethoxymethylene acetate,2-propenoic acid, 2-cyano-3-ethoxy-, ethyl ester,2-cyano-3-ethoxy-2-propenoic acid ethyl ester,2-cyano-3-ethoxyacrylic acid ethyl ester,ethyl 2e-2-cyano-3-ethoxy-2-propenoate |
| IUPAC Name | ethyl (E)-2-cyano-3-ethoxyprop-2-enoate |
| InChI Key | KTMGNAIGXYODKQ-SREVYHEPSA-N |
| Molecular Formula | C8H11NO3 |
Diethyl 12-mercaptododecylphosphonate, 95%
CAS: 1049677-30-6 Molecular Formula: C16H35O3PS Molecular Weight (g/mol): 338.49 MDL Number: MFCD11046117 InChI Key: JAVFXEXYSKLPHD-UHFFFAOYSA-N Synonym: diethyl 12-mercaptododecylphosphonate,diethyl 12-sulfanyldodecylphosphonate,12-mercaptododecylphosphonic acid diethyl ester PubChem CID: 45158995 IUPAC Name: 12-diethoxyphosphoryldodecane-1-thiol SMILES: CCOP(=O)(CCCCCCCCCCCCS)OCC
| PubChem CID | 45158995 |
|---|---|
| CAS | 1049677-30-6 |
| Molecular Weight (g/mol) | 338.49 |
| MDL Number | MFCD11046117 |
| SMILES | CCOP(=O)(CCCCCCCCCCCCS)OCC |
| Synonym | diethyl 12-mercaptododecylphosphonate,diethyl 12-sulfanyldodecylphosphonate,12-mercaptododecylphosphonic acid diethyl ester |
| IUPAC Name | 12-diethoxyphosphoryldodecane-1-thiol |
| InChI Key | JAVFXEXYSKLPHD-UHFFFAOYSA-N |
| Molecular Formula | C16H35O3PS |
Sodium diphenylamine-4-sulfonate, ACS
CAS: 6152-67-6 Molecular Formula: C12H11NNaO3S Molecular Weight (g/mol): 272.27 MDL Number: MFCD00036468 InChI Key: VMVSDVIYIMNZBS-UHFFFAOYSA-N Synonym: sodium 4-phenylamino benzenesulfonate,sodium diphenylamine-4-sulfonate,benzenesulfonic acid, 4-phenylamino-, monosodium salt,unii-3e2ux1382o,sodium 4-anilinobenzenesulfonate,diphenylamine-4-sulfonic acid sodium salt,sodium diphenylamine-p-sulfonate,n-phenylsulfanilic acid, sodium salt,4-phenylamino benzenesulfonic acid sodium salt,diphenylaminesulfonic acid sodium salt PubChem CID: 517002 IUPAC Name: sodium;4-anilinobenzenesulfonate SMILES: [Na].OS(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1
| PubChem CID | 517002 |
|---|---|
| CAS | 6152-67-6 |
| Molecular Weight (g/mol) | 272.27 |
| MDL Number | MFCD00036468 |
| SMILES | [Na].OS(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1 |
| Synonym | sodium 4-phenylamino benzenesulfonate,sodium diphenylamine-4-sulfonate,benzenesulfonic acid, 4-phenylamino-, monosodium salt,unii-3e2ux1382o,sodium 4-anilinobenzenesulfonate,diphenylamine-4-sulfonic acid sodium salt,sodium diphenylamine-p-sulfonate,n-phenylsulfanilic acid, sodium salt,4-phenylamino benzenesulfonic acid sodium salt,diphenylaminesulfonic acid sodium salt |
| IUPAC Name | sodium;4-anilinobenzenesulfonate |
| InChI Key | VMVSDVIYIMNZBS-UHFFFAOYSA-N |
| Molecular Formula | C12H11NNaO3S |
N-Benzylacrylamide, 96%
CAS: 13304-62-6 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.204 MDL Number: MFCD00015333 InChI Key: OHLHOLGYGRKZMU-UHFFFAOYSA-N Synonym: n-benzylacrylamide,2-propenamide, n-phenylmethyl,n-benzyl acrylamide,acmc-20ak6s,enamine_005841 PubChem CID: 139428 IUPAC Name: N-benzylprop-2-enamide SMILES: C=CC(=O)NCC1=CC=CC=C1
| PubChem CID | 139428 |
|---|---|
| CAS | 13304-62-6 |
| Molecular Weight (g/mol) | 161.204 |
| MDL Number | MFCD00015333 |
| SMILES | C=CC(=O)NCC1=CC=CC=C1 |
| Synonym | n-benzylacrylamide,2-propenamide, n-phenylmethyl,n-benzyl acrylamide,acmc-20ak6s,enamine_005841 |
| IUPAC Name | N-benzylprop-2-enamide |
| InChI Key | OHLHOLGYGRKZMU-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO |
Cyclohexyl acrylate, 98+%, stab. with 100ppm 4-methoxyphenol, Thermo Scientific Chemicals
CAS: 3066-71-5 Molecular Formula: C9H14O2 Molecular Weight (g/mol): 154.21 MDL Number: MFCD00046349 InChI Key: KBLWLMPSVYBVDK-UHFFFAOYSA-N Synonym: cyclohexyl acrylate,2-propenoic acid, cyclohexyl ester,sartomer sr 220,acrylic acid, cyclohexyl ester,acrylic acid cyclohexyl ester,cyclohexylacrylate,acrylic acid cyclohexyl,acmc-209slu,wln: l6tj aov1u1,4-06-00-00038 beilstein handbook reference PubChem CID: 18298 IUPAC Name: cyclohexyl prop-2-enoate SMILES: C=CC(=O)OC1CCCCC1
| PubChem CID | 18298 |
|---|---|
| CAS | 3066-71-5 |
| Molecular Weight (g/mol) | 154.21 |
| MDL Number | MFCD00046349 |
| SMILES | C=CC(=O)OC1CCCCC1 |
| Synonym | cyclohexyl acrylate,2-propenoic acid, cyclohexyl ester,sartomer sr 220,acrylic acid, cyclohexyl ester,acrylic acid cyclohexyl ester,cyclohexylacrylate,acrylic acid cyclohexyl,acmc-209slu,wln: l6tj aov1u1,4-06-00-00038 beilstein handbook reference |
| IUPAC Name | cyclohexyl prop-2-enoate |
| InChI Key | KBLWLMPSVYBVDK-UHFFFAOYSA-N |
| Molecular Formula | C9H14O2 |
Ethyl caprate, 99+%
CAS: 110-38-3 Molecular Formula: C12H24O2 Molecular Weight (g/mol): 200.32 MDL Number: MFCD00009581 InChI Key: RGXWDWUGBIJHDO-UHFFFAOYSA-N Synonym: ethyl caprate,ethyl caprinate,ethyl decylate,decanoic acid ethyl ester,decanoic acid, ethyl ester,capric acid ethyl ester,ethyl n-decanoate,capric acid, ethyl ester,natural,unii-gy39fb86uo PubChem CID: 8048 ChEBI: CHEBI:87430 IUPAC Name: ethyl decanoate SMILES: CCCCCCCCCC(=O)OCC
| PubChem CID | 8048 |
|---|---|
| CAS | 110-38-3 |
| Molecular Weight (g/mol) | 200.32 |
| ChEBI | CHEBI:87430 |
| MDL Number | MFCD00009581 |
| SMILES | CCCCCCCCCC(=O)OCC |
| Synonym | ethyl caprate,ethyl caprinate,ethyl decylate,decanoic acid ethyl ester,decanoic acid, ethyl ester,capric acid ethyl ester,ethyl n-decanoate,capric acid, ethyl ester,natural,unii-gy39fb86uo |
| IUPAC Name | ethyl decanoate |
| InChI Key | RGXWDWUGBIJHDO-UHFFFAOYSA-N |
| Molecular Formula | C12H24O2 |
4-Hydroxybenzenesulfonic acid, 65%
CAS: 98-67-9 Molecular Formula: C6H6O4S Molecular Weight (g/mol): 174.17 MDL Number: MFCD00007506 InChI Key: FEPBITJSIHRMRT-UHFFFAOYSA-N Synonym: p-phenolsulfonic acid,phenolsulfonic acid,4-phenolsulfonic acid,p-sulfophenol,sulfocarbolic acid,benzenesulfonic acid, 4-hydroxy,p-hydroxybenzenesulfonic acid,phenol-4-sulfonic acid,benzenesulfonic acid, p-hydroxy,4-hydroxyphenylsulfonic acid PubChem CID: 4765 ChEBI: CHEBI:32354 IUPAC Name: 4-hydroxybenzenesulfonic acid SMILES: OC1=CC=C(C=C1)S(O)(=O)=O
| PubChem CID | 4765 |
|---|---|
| CAS | 98-67-9 |
| Molecular Weight (g/mol) | 174.17 |
| ChEBI | CHEBI:32354 |
| MDL Number | MFCD00007506 |
| SMILES | OC1=CC=C(C=C1)S(O)(=O)=O |
| Synonym | p-phenolsulfonic acid,phenolsulfonic acid,4-phenolsulfonic acid,p-sulfophenol,sulfocarbolic acid,benzenesulfonic acid, 4-hydroxy,p-hydroxybenzenesulfonic acid,phenol-4-sulfonic acid,benzenesulfonic acid, p-hydroxy,4-hydroxyphenylsulfonic acid |
| IUPAC Name | 4-hydroxybenzenesulfonic acid |
| InChI Key | FEPBITJSIHRMRT-UHFFFAOYSA-N |
| Molecular Formula | C6H6O4S |
3-Amino-4,5-dihydro-1-phenyl-1H-pyrazole, 98+%
CAS: 3314-35-0 Molecular Formula: C9H11N3 Molecular Weight (g/mol): 161.208 MDL Number: MFCD00051730 InChI Key: QENUTIJJGGTTPE-UHFFFAOYSA-N Synonym: 1-phenyl-4,5-dihydro-1h-pyrazol-3-amine,2-pyrazoline, 3-amino-1-phenyl,1-fenyl-3-aminopyrazolin,3-amino-1-phenyl-2-pyrazoline,1-phenyl-4,5-dihydro-1h-pyrazol-3-ylamine,3-amino-4,5-dihydro-1-phenylpyrazole,pyrazolidine, 3-imino-1-phenyl,4,5-dihydro-1-phenyl-1h-pyrazol-3-amine,3-amino-1-fenyl-2-pyrazolin,1-phenyl-3-amino-2-pyrazoline PubChem CID: 98736 IUPAC Name: 2-phenyl-3,4-dihydropyrazol-5-amine SMILES: C1CN(N=C1N)C2=CC=CC=C2
| PubChem CID | 98736 |
|---|---|
| CAS | 3314-35-0 |
| Molecular Weight (g/mol) | 161.208 |
| MDL Number | MFCD00051730 |
| SMILES | C1CN(N=C1N)C2=CC=CC=C2 |
| Synonym | 1-phenyl-4,5-dihydro-1h-pyrazol-3-amine,2-pyrazoline, 3-amino-1-phenyl,1-fenyl-3-aminopyrazolin,3-amino-1-phenyl-2-pyrazoline,1-phenyl-4,5-dihydro-1h-pyrazol-3-ylamine,3-amino-4,5-dihydro-1-phenylpyrazole,pyrazolidine, 3-imino-1-phenyl,4,5-dihydro-1-phenyl-1h-pyrazol-3-amine,3-amino-1-fenyl-2-pyrazolin,1-phenyl-3-amino-2-pyrazoline |
| IUPAC Name | 2-phenyl-3,4-dihydropyrazol-5-amine |
| InChI Key | QENUTIJJGGTTPE-UHFFFAOYSA-N |
| Molecular Formula | C9H11N3 |
MilliporeSigma™ 2',7'-Dichlorofluorescin Diacetate, Calbiochem™,
CAS: 4091-99-0 Molecular Formula: C24H16Cl2O7 Molecular Weight (g/mol): 487.285 InChI Key: PXEZTIWVRVSYOK-UHFFFAOYSA-N Synonym: h2dcfda,2-3,6-diacetoxy-2,7-dichloro-9h-xanthen-9-yl benzoic acid,2',7'-dichlorohydrofluorescein diacetate,2,7-dichlorodihydrofluorescein diacetate,benzoic acid, 2-3,6-bis acetyloxy-2,7-dichloro-9h-xanthen-9-yl,2-3,6-bis acetyloxy-2,7-dichloro-9h-xanthen-9-yl benzoic acid,2′,7′-dichlorofluorescin diacetate,2′,7′-dichlorodihydrofluorescein diacetate,2-3,6-diacetyloxy-2,7-dichloro-9h-xanthen-9-yl benzoic acid PubChem CID: 77718 IUPAC Name: 2-(3,6-diacetyloxy-2,7-dichloro-9H-xanthen-9-yl)benzoic acid SMILES: CC(=O)OC1=C(C=C2C(C3=CC(=C(C=C3OC2=C1)OC(=O)C)Cl)C4=CC=CC=C4C(=O)O)Cl
| PubChem CID | 77718 |
|---|---|
| CAS | 4091-99-0 |
| Molecular Weight (g/mol) | 487.285 |
| SMILES | CC(=O)OC1=C(C=C2C(C3=CC(=C(C=C3OC2=C1)OC(=O)C)Cl)C4=CC=CC=C4C(=O)O)Cl |
| Synonym | h2dcfda,2-3,6-diacetoxy-2,7-dichloro-9h-xanthen-9-yl benzoic acid,2',7'-dichlorohydrofluorescein diacetate,2,7-dichlorodihydrofluorescein diacetate,benzoic acid, 2-3,6-bis acetyloxy-2,7-dichloro-9h-xanthen-9-yl,2-3,6-bis acetyloxy-2,7-dichloro-9h-xanthen-9-yl benzoic acid,2′,7′-dichlorofluorescin diacetate,2′,7′-dichlorodihydrofluorescein diacetate,2-3,6-diacetyloxy-2,7-dichloro-9h-xanthen-9-yl benzoic acid |
| IUPAC Name | 2-(3,6-diacetyloxy-2,7-dichloro-9H-xanthen-9-yl)benzoic acid |
| InChI Key | PXEZTIWVRVSYOK-UHFFFAOYSA-N |
| Molecular Formula | C24H16Cl2O7 |
Ethyl caproate, 99+%
CAS: 123-66-0 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00009511 InChI Key: SHZIWNPUGXLXDT-UHFFFAOYSA-N Synonym: ethyl caproate,ethyl hexoate,hexanoic acid, ethyl ester,hexanoic acid ethyl ester,capronic ether absolute,caproic acid ethyl ester,ethyl n-hexanoate,ethyl butyl acetate,caproate,acetic acid, butyl-, ethyl ester PubChem CID: 31265 ChEBI: CHEBI:86055 IUPAC Name: ethyl hexanoate SMILES: CCCCCC(=O)OCC
| PubChem CID | 31265 |
|---|---|
| CAS | 123-66-0 |
| Molecular Weight (g/mol) | 144.21 |
| ChEBI | CHEBI:86055 |
| MDL Number | MFCD00009511 |
| SMILES | CCCCCC(=O)OCC |
| Synonym | ethyl caproate,ethyl hexoate,hexanoic acid, ethyl ester,hexanoic acid ethyl ester,capronic ether absolute,caproic acid ethyl ester,ethyl n-hexanoate,ethyl butyl acetate,caproate,acetic acid, butyl-, ethyl ester |
| IUPAC Name | ethyl hexanoate |
| InChI Key | SHZIWNPUGXLXDT-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
Ethyl bromodifluoroacetate, 98%
CAS: 667-27-6 Molecular Formula: C4H5BrF2O2 Molecular Weight (g/mol): 202.99 MDL Number: MFCD00042069 InChI Key: IRSJDVYTJUCXRV-UHFFFAOYSA-N Synonym: ethyl bromodifluoroacetate,ethylbromodifluoroacetate,bromodifluoroacetic acid ethyl ester,acetic acid, bromodifluoro-, ethyl ester,ethyl difluorobromoacetate,ethyl 2-bromo-2,2-difluoro-acetate,2-bromo-2,2-difluoro-1-ethoxyethan-1-one,2-bromo-2,2-difluoro-1-ethoxy-1-oxoethane,ethylbrom difluor acetat,pubchem16953 PubChem CID: 69585 IUPAC Name: ethyl 2-bromo-2,2-difluoroacetate SMILES: CCOC(=O)C(F)(F)Br
| PubChem CID | 69585 |
|---|---|
| CAS | 667-27-6 |
| Molecular Weight (g/mol) | 202.99 |
| MDL Number | MFCD00042069 |
| SMILES | CCOC(=O)C(F)(F)Br |
| Synonym | ethyl bromodifluoroacetate,ethylbromodifluoroacetate,bromodifluoroacetic acid ethyl ester,acetic acid, bromodifluoro-, ethyl ester,ethyl difluorobromoacetate,ethyl 2-bromo-2,2-difluoro-acetate,2-bromo-2,2-difluoro-1-ethoxyethan-1-one,2-bromo-2,2-difluoro-1-ethoxy-1-oxoethane,ethylbrom difluor acetat,pubchem16953 |
| IUPAC Name | ethyl 2-bromo-2,2-difluoroacetate |
| InChI Key | IRSJDVYTJUCXRV-UHFFFAOYSA-N |
| Molecular Formula | C4H5BrF2O2 |
Ethyl (S)-(-)-4-chloro-3-hydroxybutyrate, 98%
CAS: 86728-85-0 Molecular Formula: C6H11ClO3 Molecular Weight (g/mol): 166.60 MDL Number: MFCD00211241 InChI Key: ZAJNMXDBJKCCAT-YFKPBYRVSA-N Synonym: ethyl s-4-chloro-3-hydroxybutyrate,ethyl s---4-chloro-3-hydroxybutyrate,ethyl s---4-chloro-3-hydroxybutanoate,ethyl 3s-4-chloro-3-hydroxybutanoate,ethyl s-4-chloro-3-hydroxybutanoate,s-4-chloro-3-hydroxybutyrate,s-4-chloro-3-hydroxybutyric acid ethyl ester,s-4-chloro-3-hydroxy-n-butyric acid ethyl ester,s-ethyl 4-chloro-3-hydroxybutanoate PubChem CID: 7019277 IUPAC Name: ethyl (3S)-4-chloro-3-hydroxybutanoate SMILES: CCOC(=O)C[C@H](O)CCl
| PubChem CID | 7019277 |
|---|---|
| CAS | 86728-85-0 |
| Molecular Weight (g/mol) | 166.60 |
| MDL Number | MFCD00211241 |
| SMILES | CCOC(=O)C[C@H](O)CCl |
| Synonym | ethyl s-4-chloro-3-hydroxybutyrate,ethyl s---4-chloro-3-hydroxybutyrate,ethyl s---4-chloro-3-hydroxybutanoate,ethyl 3s-4-chloro-3-hydroxybutanoate,ethyl s-4-chloro-3-hydroxybutanoate,s-4-chloro-3-hydroxybutyrate,s-4-chloro-3-hydroxybutyric acid ethyl ester,s-4-chloro-3-hydroxy-n-butyric acid ethyl ester,s-ethyl 4-chloro-3-hydroxybutanoate |
| IUPAC Name | ethyl (3S)-4-chloro-3-hydroxybutanoate |
| InChI Key | ZAJNMXDBJKCCAT-YFKPBYRVSA-N |
| Molecular Formula | C6H11ClO3 |
Dibenzyl phosphate, 98%
CAS: 1623-08-1 Molecular Formula: C14H15O4P Molecular Weight (g/mol): 278.244 MDL Number: MFCD00004775 InChI Key: HDFFVHSMHLDSLO-UHFFFAOYSA-N Synonym: dibenzyl phosphate,phosphoric acid dibenzyl ester,dibenzylphosphoric acid,unii-y65r35lz0s,phosphoric acid, bis phenylmethyl ester,dibenzylphosphate,creatine phosphate disodium impurity 4,dibenzyloxyphosphinic acid,dibenzyl-phosphate,pubchem14883 PubChem CID: 74189 IUPAC Name: dibenzyl hydrogen phosphate SMILES: C1=CC=C(C=C1)COP(=O)(O)OCC2=CC=CC=C2
| PubChem CID | 74189 |
|---|---|
| CAS | 1623-08-1 |
| Molecular Weight (g/mol) | 278.244 |
| MDL Number | MFCD00004775 |
| SMILES | C1=CC=C(C=C1)COP(=O)(O)OCC2=CC=CC=C2 |
| Synonym | dibenzyl phosphate,phosphoric acid dibenzyl ester,dibenzylphosphoric acid,unii-y65r35lz0s,phosphoric acid, bis phenylmethyl ester,dibenzylphosphate,creatine phosphate disodium impurity 4,dibenzyloxyphosphinic acid,dibenzyl-phosphate,pubchem14883 |
| IUPAC Name | dibenzyl hydrogen phosphate |
| InChI Key | HDFFVHSMHLDSLO-UHFFFAOYSA-N |
| Molecular Formula | C14H15O4P |
5-Cyano-2-hydroxybenzeneboronic acid, 96%
CAS: 1256355-57-3 Molecular Formula: C7H6BNO3 Molecular Weight (g/mol): 162.939 InChI Key: QXWBHAJKEPWEBD-UHFFFAOYSA-N Synonym: 5-cyano-2-hydroxyphenyl boronic acid,acmc-209az5,boronic acid, b-5-cyano-2-hydroxyphenyl PubChem CID: 53216735 IUPAC Name: (5-cyano-2-hydroxyphenyl)boronic acid SMILES: B(C1=C(C=CC(=C1)C#N)O)(O)O
| PubChem CID | 53216735 |
|---|---|
| CAS | 1256355-57-3 |
| Molecular Weight (g/mol) | 162.939 |
| SMILES | B(C1=C(C=CC(=C1)C#N)O)(O)O |
| Synonym | 5-cyano-2-hydroxyphenyl boronic acid,acmc-209az5,boronic acid, b-5-cyano-2-hydroxyphenyl |
| IUPAC Name | (5-cyano-2-hydroxyphenyl)boronic acid |
| InChI Key | QXWBHAJKEPWEBD-UHFFFAOYSA-N |
| Molecular Formula | C7H6BNO3 |