Organic acids and derivatives
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Ethyl 3-Mercaptopropionate, Approx. 99%, Spectrum™ Chemical
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CAS: 5466-06-8 Molecular Formula: C5H10O2S Molecular Weight (g/mol): 134.19 InChI Key: CJQWLNNCQIHKHP-UHFFFAOYSA-N IUPAC Name: ethyl 3-sulfanylpropanoate SMILES: CCOC(=O)CCS
| CAS | 5466-06-8 |
|---|---|
| Molecular Weight (g/mol) | 134.19 |
| SMILES | CCOC(=O)CCS |
| IUPAC Name | ethyl 3-sulfanylpropanoate |
| InChI Key | CJQWLNNCQIHKHP-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2S |
3,4-Dichlorobenzeneboronic acid, 97%
CAS: 151169-75-4 Molecular Formula: C6H5BCl2O2 Molecular Weight (g/mol): 190.81 MDL Number: MFCD01074646 InChI Key: JKIGHOARKAIPJI-UHFFFAOYSA-N Synonym: 3,4-dichlorophenyl boronic acid,3,4-dichlorobenzeneboronic acid,3,4-dichlorophenylboronicacid,3,4-dichlorophenyl boranediol,3,4-dichlorophenylbornic acid,chembl20776,3,4-dichloro benzene boronic acid,boronic acid, 3,4-dichlorophenyl,pubchem1812 PubChem CID: 2734330 IUPAC Name: (3,4-dichlorophenyl)boronic acid SMILES: OB(O)C1=CC=C(Cl)C(Cl)=C1
| PubChem CID | 2734330 |
|---|---|
| CAS | 151169-75-4 |
| Molecular Weight (g/mol) | 190.81 |
| MDL Number | MFCD01074646 |
| SMILES | OB(O)C1=CC=C(Cl)C(Cl)=C1 |
| Synonym | 3,4-dichlorophenyl boronic acid,3,4-dichlorobenzeneboronic acid,3,4-dichlorophenylboronicacid,3,4-dichlorophenyl boranediol,3,4-dichlorophenylbornic acid,chembl20776,3,4-dichloro benzene boronic acid,boronic acid, 3,4-dichlorophenyl,pubchem1812 |
| IUPAC Name | (3,4-dichlorophenyl)boronic acid |
| InChI Key | JKIGHOARKAIPJI-UHFFFAOYSA-N |
| Molecular Formula | C6H5BCl2O2 |
Methyl trifluoromethanesulfonate, 97%
CAS: 333-27-7 Molecular Formula: C2H3F3O3S Molecular Weight (g/mol): 164.10 MDL Number: MFCD00000409 InChI Key: OIRDBPQYVWXNSJ-UHFFFAOYSA-N Synonym: methyl triflate,methyl trifluoromethanesulphonate,methanesulfonic acid, trifluoro-, methyl ester,triflate ester,methyl trifluoromethane sulfonate,trifluoromethanesulfonic acid methyl ester,unii-7b25z22epv,ccris 1158,methyltrifluoromethanesulfonate,methanesulfonic acid, 1,1,1-trifluoro-, methyl ester PubChem CID: 9526 IUPAC Name: methyl trifluoromethanesulfonate SMILES: COS(=O)(=O)C(F)(F)F
| PubChem CID | 9526 |
|---|---|
| CAS | 333-27-7 |
| Molecular Weight (g/mol) | 164.10 |
| MDL Number | MFCD00000409 |
| SMILES | COS(=O)(=O)C(F)(F)F |
| Synonym | methyl triflate,methyl trifluoromethanesulphonate,methanesulfonic acid, trifluoro-, methyl ester,triflate ester,methyl trifluoromethane sulfonate,trifluoromethanesulfonic acid methyl ester,unii-7b25z22epv,ccris 1158,methyltrifluoromethanesulfonate,methanesulfonic acid, 1,1,1-trifluoro-, methyl ester |
| IUPAC Name | methyl trifluoromethanesulfonate |
| InChI Key | OIRDBPQYVWXNSJ-UHFFFAOYSA-N |
| Molecular Formula | C2H3F3O3S |
Isopropyl Acetate, Puriss p.a., ≥99.5% (GC), Solstice
CAS: 108-21-4 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00008877 InChI Key: JMMWKPVZQRWMSS-UHFFFAOYSA-N Synonym: isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester PubChem CID: 7915 IUPAC Name: propan-2-yl acetate SMILES: CC(C)OC(=O)C
| PubChem CID | 7915 |
|---|---|
| CAS | 108-21-4 |
| Molecular Weight (g/mol) | 102.133 |
| MDL Number | MFCD00008877 |
| SMILES | CC(C)OC(=O)C |
| Synonym | isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester |
| IUPAC Name | propan-2-yl acetate |
| InChI Key | JMMWKPVZQRWMSS-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
4-Acetylbutyric acid, 97%
CAS: 3128-06-1 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.14 MDL Number: MFCD00004412 InChI Key: MGTZCLMLSSAXLD-UHFFFAOYSA-N Synonym: 4-acetylbutyric acid,5-ketohexanoic acid,hexanoic acid, 5-oxo,5-ketocaproic acid,5-oxo-hexanoic acid,4-acetylbutyricacid,5-keto-n-caproic acid,5-oxocaproic acid,delta-oxocaproic acid,delta-ketocaproic acid ChEBI: CHEBI:15888
| CAS | 3128-06-1 |
|---|---|
| Molecular Weight (g/mol) | 130.14 |
| ChEBI | CHEBI:15888 |
| MDL Number | MFCD00004412 |
| Synonym | 4-acetylbutyric acid,5-ketohexanoic acid,hexanoic acid, 5-oxo,5-ketocaproic acid,5-oxo-hexanoic acid,4-acetylbutyricacid,5-keto-n-caproic acid,5-oxocaproic acid,delta-oxocaproic acid,delta-ketocaproic acid |
| InChI Key | MGTZCLMLSSAXLD-UHFFFAOYSA-N |
| Molecular Formula | C6H10O3 |
3-Indoxyl acetate, 97%
CAS: 608-08-2 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.187 MDL Number: MFCD00014561 InChI Key: JBOPQACSHPPKEP-UHFFFAOYSA-N Synonym: 3-acetoxyindole,indoxyl acetate,3-indoxyl acetate,indoxyl-o-acetate,3-indolyl acetate,indole, 3-acetato,indoxylacetate,1h-indol-3-ol, 3-acetate,1h-indol-3-ol, acetate ester,acetic acid, 3-indolyl ester PubChem CID: 11841 IUPAC Name: 1H-indol-3-yl acetate SMILES: CC(=O)OC1=CNC2=CC=CC=C21
| PubChem CID | 11841 |
|---|---|
| CAS | 608-08-2 |
| Molecular Weight (g/mol) | 175.187 |
| MDL Number | MFCD00014561 |
| SMILES | CC(=O)OC1=CNC2=CC=CC=C21 |
| Synonym | 3-acetoxyindole,indoxyl acetate,3-indoxyl acetate,indoxyl-o-acetate,3-indolyl acetate,indole, 3-acetato,indoxylacetate,1h-indol-3-ol, 3-acetate,1h-indol-3-ol, acetate ester,acetic acid, 3-indolyl ester |
| IUPAC Name | 1H-indol-3-yl acetate |
| InChI Key | JBOPQACSHPPKEP-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
Acetazolamide, 99%
CAS: 59-66-5 Molecular Formula: C4H6N4O3S2 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00003105 InChI Key: BZKPWHYZMXOIDC-UHFFFAOYSA-N Synonym: acetazolamide,diamox,acetazolamid,diacarb,glaupax,defiltran,nephramide,acetamox,cidamex,diluran PubChem CID: 1986 ChEBI: CHEBI:27690 IUPAC Name: N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide SMILES: CC(=O)NC1=NN=C(S1)S(N)(=O)=O
| PubChem CID | 1986 |
|---|---|
| CAS | 59-66-5 |
| Molecular Weight (g/mol) | 222.24 |
| ChEBI | CHEBI:27690 |
| MDL Number | MFCD00003105 |
| SMILES | CC(=O)NC1=NN=C(S1)S(N)(=O)=O |
| Synonym | acetazolamide,diamox,acetazolamid,diacarb,glaupax,defiltran,nephramide,acetamox,cidamex,diluran |
| IUPAC Name | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide |
| InChI Key | BZKPWHYZMXOIDC-UHFFFAOYSA-N |
| Molecular Formula | C4H6N4O3S2 |
N,N-Dimethylacetamide dimethyl acetal, tech. 90%, stab.
CAS: 18871-66-4 Molecular Formula: C6H15NO2 Molecular Weight (g/mol): 133.191 MDL Number: MFCD00008476 InChI Key: FBZVZUSVGKOWHG-UHFFFAOYSA-N Synonym: n,n-dimethylacetamide dimethyl acetal,1,1-dimethoxy-n,n-dimethylethylamine,1,1-dimethoxyethyl dimethylamine,1,1-dimethoxyethyl dimethyl amine,1,1-dimethoxy-ethyl-dimethyl-amine,ethanamine, 1,1-dimethoxy-n,n-dimethyl,dimethylacetamide dimethylacetal,dimethylacetamide dimethyl acetal,n,n-dimethylacetamide dimethyl acetal, stabilized with methanol,zlchem 332 PubChem CID: 87835 IUPAC Name: 1,1-dimethoxy-N,N-dimethylethanamine SMILES: CC(N(C)C)(OC)OC
| PubChem CID | 87835 |
|---|---|
| CAS | 18871-66-4 |
| Molecular Weight (g/mol) | 133.191 |
| MDL Number | MFCD00008476 |
| SMILES | CC(N(C)C)(OC)OC |
| Synonym | n,n-dimethylacetamide dimethyl acetal,1,1-dimethoxy-n,n-dimethylethylamine,1,1-dimethoxyethyl dimethylamine,1,1-dimethoxyethyl dimethyl amine,1,1-dimethoxy-ethyl-dimethyl-amine,ethanamine, 1,1-dimethoxy-n,n-dimethyl,dimethylacetamide dimethylacetal,dimethylacetamide dimethyl acetal,n,n-dimethylacetamide dimethyl acetal, stabilized with methanol,zlchem 332 |
| IUPAC Name | 1,1-dimethoxy-N,N-dimethylethanamine |
| InChI Key | FBZVZUSVGKOWHG-UHFFFAOYSA-N |
| Molecular Formula | C6H15NO2 |
Diethylenetriaminepentaacetic acid dianhydride, 95%
CAS: 23911-26-4 Molecular Formula: C14H19N3O8 Molecular Weight (g/mol): 357.319 MDL Number: MFCD00010697 InChI Key: RAZLJUXJEOEYAM-UHFFFAOYSA-N Synonym: dtpa-anhydride,cyclic dtpa anhydride,2-bis 2-2,6-dioxomorpholino ethyl amino acetic acid,unii-wnm9rlh5x9,wnm9rlh5x9,diethylenetriaminepentaacetic dianhydride,diethylenetriaminepentaacetic acid dianhydride,cdtpaa,glycine, n,n-bis 2-2,6-dioxo-4-morpholinyl ethyl,bis 2-2,6-dioxomorpholin-4-yl ethyl amino acetic acid PubChem CID: 100825 IUPAC Name: 2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid SMILES: C1C(=O)OC(=O)CN1CCN(CCN2CC(=O)OC(=O)C2)CC(=O)O
| PubChem CID | 100825 |
|---|---|
| CAS | 23911-26-4 |
| Molecular Weight (g/mol) | 357.319 |
| MDL Number | MFCD00010697 |
| SMILES | C1C(=O)OC(=O)CN1CCN(CCN2CC(=O)OC(=O)C2)CC(=O)O |
| Synonym | dtpa-anhydride,cyclic dtpa anhydride,2-bis 2-2,6-dioxomorpholino ethyl amino acetic acid,unii-wnm9rlh5x9,wnm9rlh5x9,diethylenetriaminepentaacetic dianhydride,diethylenetriaminepentaacetic acid dianhydride,cdtpaa,glycine, n,n-bis 2-2,6-dioxo-4-morpholinyl ethyl,bis 2-2,6-dioxomorpholin-4-yl ethyl amino acetic acid |
| IUPAC Name | 2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid |
| InChI Key | RAZLJUXJEOEYAM-UHFFFAOYSA-N |
| Molecular Formula | C14H19N3O8 |
Cyclohexyl methacrylate, 97%, stab. with ca 50ppm 4-methoxyphenol, Thermo Scientific Chemicals
CAS: 101-43-9 Molecular Formula: C10H16O2 Molecular Weight (g/mol): 168.24 MDL Number: MFCD00014292 InChI Key: OIWOHHBRDFKZNC-UHFFFAOYSA-N Synonym: cyclohexyl methacrylate,methacrylic acid, cyclohexyl ester,2-propenoic acid, 2-methyl-, cyclohexyl ester,unii-5l9uuv9t6q,2-methyl-2-propenoic acid cyclohexyl ester,5l9uuv9t6q,methacrylic acid cyclohexyl ester,ageflex chma,c-hma,cyclo hexyl methacrylate PubChem CID: 7561 IUPAC Name: cyclohexyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OC1CCCCC1
| PubChem CID | 7561 |
|---|---|
| CAS | 101-43-9 |
| Molecular Weight (g/mol) | 168.24 |
| MDL Number | MFCD00014292 |
| SMILES | CC(=C)C(=O)OC1CCCCC1 |
| Synonym | cyclohexyl methacrylate,methacrylic acid, cyclohexyl ester,2-propenoic acid, 2-methyl-, cyclohexyl ester,unii-5l9uuv9t6q,2-methyl-2-propenoic acid cyclohexyl ester,5l9uuv9t6q,methacrylic acid cyclohexyl ester,ageflex chma,c-hma,cyclo hexyl methacrylate |
| IUPAC Name | cyclohexyl 2-methylprop-2-enoate |
| InChI Key | OIWOHHBRDFKZNC-UHFFFAOYSA-N |
| Molecular Formula | C10H16O2 |
Methyl oxalyl chloride, 97%
CAS: 5781-53-3 Molecular Formula: C3H3ClO3 Molecular Weight (g/mol): 122.504 MDL Number: MFCD00000705 InChI Key: ZXUQEPZWVQIOJE-UHFFFAOYSA-N Synonym: methyl oxalyl chloride,methyl chloroglyoxylate,methyl chlorooxoacetate,chloroglyoxylic acid methyl ester,acetic acid, chlorooxo-, methyl ester,methyl chlorocarbonyl formate,methyloxalylchloride,methyl chloro oxo acetate,methylchlorooxoacetate,methyl 2-chloro-2-oxo-acetate PubChem CID: 79846 IUPAC Name: methyl 2-chloro-2-oxoacetate SMILES: COC(=O)C(=O)Cl
| PubChem CID | 79846 |
|---|---|
| CAS | 5781-53-3 |
| Molecular Weight (g/mol) | 122.504 |
| MDL Number | MFCD00000705 |
| SMILES | COC(=O)C(=O)Cl |
| Synonym | methyl oxalyl chloride,methyl chloroglyoxylate,methyl chlorooxoacetate,chloroglyoxylic acid methyl ester,acetic acid, chlorooxo-, methyl ester,methyl chlorocarbonyl formate,methyloxalylchloride,methyl chloro oxo acetate,methylchlorooxoacetate,methyl 2-chloro-2-oxo-acetate |
| IUPAC Name | methyl 2-chloro-2-oxoacetate |
| InChI Key | ZXUQEPZWVQIOJE-UHFFFAOYSA-N |
| Molecular Formula | C3H3ClO3 |
1H-Benzimidazole-5-carboxylic acid, 98%
CAS: 15788-16-6 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD00011555 InChI Key: COYPLDIXZODDDL-UHFFFAOYSA-N Synonym: 1h-benzimidazole-5-carboxylic acid,5-benzimidazolecarboxylic acid,benzimidazole-5-carboxylic acid,1h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-6-carboxylic acid,5-carboxybenzimidazole,1h-1,3-benzodiazole-5-carboxylic acid,3h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-5-carboxylicacid,1h-1,3-benzodiazole-6-carboxylic acid PubChem CID: 459456 IUPAC Name: 3H-benzimidazole-5-carboxylic acid SMILES: OC(=O)C1=CC=C2N=CNC2=C1
| PubChem CID | 459456 |
|---|---|
| CAS | 15788-16-6 |
| Molecular Weight (g/mol) | 162.15 |
| MDL Number | MFCD00011555 |
| SMILES | OC(=O)C1=CC=C2N=CNC2=C1 |
| Synonym | 1h-benzimidazole-5-carboxylic acid,5-benzimidazolecarboxylic acid,benzimidazole-5-carboxylic acid,1h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-6-carboxylic acid,5-carboxybenzimidazole,1h-1,3-benzodiazole-5-carboxylic acid,3h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-5-carboxylicacid,1h-1,3-benzodiazole-6-carboxylic acid |
| IUPAC Name | 3H-benzimidazole-5-carboxylic acid |
| InChI Key | COYPLDIXZODDDL-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O2 |
Ethyl phenylcyanoacetate, 97%
CAS: 4553-07-5 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.21 MDL Number: MFCD00001866 InChI Key: SXIRJEDGTAKGKU-UHFFFAOYNA-N SMILES: CCOC(=O)C(C#N)C1=CC=CC=C1
| CAS | 4553-07-5 |
|---|---|
| Molecular Weight (g/mol) | 189.21 |
| MDL Number | MFCD00001866 |
| SMILES | CCOC(=O)C(C#N)C1=CC=CC=C1 |
| InChI Key | SXIRJEDGTAKGKU-UHFFFAOYNA-N |
| Molecular Formula | C11H11NO2 |
3-(Tritylthio)propionic acid, 97%
CAS: 27144-18-9 Molecular Formula: C22H20O2S Molecular Weight (g/mol): 348.46 MDL Number: MFCD00237291 InChI Key: AECGEIVNZGQBJT-UHFFFAOYSA-N Synonym: 3-tritylthio propanoic acid,s-trityl-3-mercaptopropionic acid,3-tritylthio propionic acid,3-tritylsulfanylpropionic acid,3-triphenylmethyl sulfanyl propanoic acid,3-tritylsulfanyl-propionic acid,3-tritylmercapto propionic acid,s-trityl-beta-mercaptopropionic acid,propanoic acid, 3-triphenylmethyl thio,3-tritylsulfanyl propanoic acid PubChem CID: 262767 IUPAC Name: 3-tritylsulfanylpropanoic acid SMILES: OC(=O)CCSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 262767 |
|---|---|
| CAS | 27144-18-9 |
| Molecular Weight (g/mol) | 348.46 |
| MDL Number | MFCD00237291 |
| SMILES | OC(=O)CCSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 3-tritylthio propanoic acid,s-trityl-3-mercaptopropionic acid,3-tritylthio propionic acid,3-tritylsulfanylpropionic acid,3-triphenylmethyl sulfanyl propanoic acid,3-tritylsulfanyl-propionic acid,3-tritylmercapto propionic acid,s-trityl-beta-mercaptopropionic acid,propanoic acid, 3-triphenylmethyl thio,3-tritylsulfanyl propanoic acid |
| IUPAC Name | 3-tritylsulfanylpropanoic acid |
| InChI Key | AECGEIVNZGQBJT-UHFFFAOYSA-N |
| Molecular Formula | C22H20O2S |
1-Phenylcyclopentanecarboxylic acid, 98%
CAS: 77-55-4 Molecular Formula: C12H14O2 Molecular Weight (g/mol): 190.24 MDL Number: MFCD00001372 InChI Key: RHPCYZLXNNRRMB-UHFFFAOYSA-N Synonym: 1-phenylcyclopentanecarboxylic acid,1-phenyl-1-cyclopentanecarboxylic acid,cyclopentanecarboxylic acid, 1-phenyl,1-phenyl-cyclopentanecarboxylic acid,1-phenylcyclopentane carboxylic acid,cyclopentanecarboxylicacid, 1-phenyl,pubchem22923,acmc-209pao,phenylcyclopentanecarboxylic acid,phenylcyclopentane carboxylic acid PubChem CID: 66167 IUPAC Name: 1-phenylcyclopentane-1-carboxylic acid SMILES: OC(=O)C1(CCCC1)C1=CC=CC=C1
| PubChem CID | 66167 |
|---|---|
| CAS | 77-55-4 |
| Molecular Weight (g/mol) | 190.24 |
| MDL Number | MFCD00001372 |
| SMILES | OC(=O)C1(CCCC1)C1=CC=CC=C1 |
| Synonym | 1-phenylcyclopentanecarboxylic acid,1-phenyl-1-cyclopentanecarboxylic acid,cyclopentanecarboxylic acid, 1-phenyl,1-phenyl-cyclopentanecarboxylic acid,1-phenylcyclopentane carboxylic acid,cyclopentanecarboxylicacid, 1-phenyl,pubchem22923,acmc-209pao,phenylcyclopentanecarboxylic acid,phenylcyclopentane carboxylic acid |
| IUPAC Name | 1-phenylcyclopentane-1-carboxylic acid |
| InChI Key | RHPCYZLXNNRRMB-UHFFFAOYSA-N |
| Molecular Formula | C12H14O2 |