Organic acids and derivatives
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Chloroacetic acid, 99+%, ACS reagent
CAS: 79-11-8 Molecular Formula: C2H3ClO2 Molecular Weight (g/mol): 94.5 InChI Key: FOCAUTSVDIKZOP-UHFFFAOYSA-N Synonym: chloroacetic acid,monochloroacetic acid,chloracetic acid,acetic acid, chloro,acide chloracetique,chloroethanoic acid,monochloroethanoic acid,monochloracetic acid,monochloorazijnzuur,monochloressigsaeure PubChem CID: 300 ChEBI: CHEBI:27869 IUPAC Name: 2-chloroacetic acid SMILES: C(C(=O)O)Cl
| PubChem CID | 300 |
|---|---|
| CAS | 79-11-8 |
| Molecular Weight (g/mol) | 94.5 |
| ChEBI | CHEBI:27869 |
| SMILES | C(C(=O)O)Cl |
| Synonym | chloroacetic acid,monochloroacetic acid,chloracetic acid,acetic acid, chloro,acide chloracetique,chloroethanoic acid,monochloroethanoic acid,monochloracetic acid,monochloorazijnzuur,monochloressigsaeure |
| IUPAC Name | 2-chloroacetic acid |
| InChI Key | FOCAUTSVDIKZOP-UHFFFAOYSA-N |
| Molecular Formula | C2H3ClO2 |
N-Bromoacetamide, 95%
CAS: 79-15-2 Molecular Formula: C2H4BrNO Molecular Weight (g/mol): 137.964 MDL Number: MFCD00037097 InChI Key: VBTQNRFWXBXZQR-UHFFFAOYSA-N Synonym: acetamide, n-bromo,unii-0aq6mwh7zb,ccris 4590,0aq6mwh7zb,acetobromamide,n-bromo-acetamide,sjyhiabiktp@,acmc-209pgg,n-bromoacetamide, powder,lopac-b-2377 PubChem CID: 4353 IUPAC Name: N-bromoacetamide SMILES: CC(=O)NBr
| PubChem CID | 4353 |
|---|---|
| CAS | 79-15-2 |
| Molecular Weight (g/mol) | 137.964 |
| MDL Number | MFCD00037097 |
| SMILES | CC(=O)NBr |
| Synonym | acetamide, n-bromo,unii-0aq6mwh7zb,ccris 4590,0aq6mwh7zb,acetobromamide,n-bromo-acetamide,sjyhiabiktp@,acmc-209pgg,n-bromoacetamide, powder,lopac-b-2377 |
| IUPAC Name | N-bromoacetamide |
| InChI Key | VBTQNRFWXBXZQR-UHFFFAOYSA-N |
| Molecular Formula | C2H4BrNO |
Methyl cyclopentanecarboxylate, 97%
CAS: 4630-80-2 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00019290 InChI Key: IIHIJFJSXPDTNO-UHFFFAOYSA-N Synonym: cyclopentanecarboxylic acid, methyl ester,cyclopentanecarboxylic acid methyl ester,methyl cyclopentanoate,acmc-1am5n,methylcyclopentanecarboxylate,methylcyclopentane carboxylate,methyl cyclopentane carboxylate,methyl-1-cyclopentanecarboxylate,cyclopentanoic acid methyl ester,cyclopentanecarboxylic acid methyl PubChem CID: 78365 IUPAC Name: methyl cyclopentanecarboxylate SMILES: COC(=O)C1CCCC1
| PubChem CID | 78365 |
|---|---|
| CAS | 4630-80-2 |
| Molecular Weight (g/mol) | 128.17 |
| MDL Number | MFCD00019290 |
| SMILES | COC(=O)C1CCCC1 |
| Synonym | cyclopentanecarboxylic acid, methyl ester,cyclopentanecarboxylic acid methyl ester,methyl cyclopentanoate,acmc-1am5n,methylcyclopentanecarboxylate,methylcyclopentane carboxylate,methyl cyclopentane carboxylate,methyl-1-cyclopentanecarboxylate,cyclopentanoic acid methyl ester,cyclopentanecarboxylic acid methyl |
| IUPAC Name | methyl cyclopentanecarboxylate |
| InChI Key | IIHIJFJSXPDTNO-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
Methyl 3-cyclopentenecarboxylate, 97%, Thermo Scientific Chemicals
CAS: 58101-60-3 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.16 MDL Number: MFCD04038661 InChI Key: CEOILRYKIJRPBZ-UHFFFAOYSA-N Synonym: methyl 3-cyclopentenecarboxylate,methyl cyclopent-3-enecarboxylate,methyl-3-cyclopentene-1-carboxylate,methyl3-cyclopentenecarboxylate,3-cyclopentene-1-carboxylic acid methyl ester,3-cyclopentene-1-carboxylic acid, methyl ester,acmc-209m2j,methyl cyclopent-3-ene carboxylate,4-methoxycarbonyl cyclopent-1-ene,methyl 3-cyclopentene-1-carboxylate PubChem CID: 1514118 IUPAC Name: methyl cyclopent-3-ene-1-carboxylate SMILES: COC(=O)C1CC=CC1
| PubChem CID | 1514118 |
|---|---|
| CAS | 58101-60-3 |
| Molecular Weight (g/mol) | 126.16 |
| MDL Number | MFCD04038661 |
| SMILES | COC(=O)C1CC=CC1 |
| Synonym | methyl 3-cyclopentenecarboxylate,methyl cyclopent-3-enecarboxylate,methyl-3-cyclopentene-1-carboxylate,methyl3-cyclopentenecarboxylate,3-cyclopentene-1-carboxylic acid methyl ester,3-cyclopentene-1-carboxylic acid, methyl ester,acmc-209m2j,methyl cyclopent-3-ene carboxylate,4-methoxycarbonyl cyclopent-1-ene,methyl 3-cyclopentene-1-carboxylate |
| IUPAC Name | methyl cyclopent-3-ene-1-carboxylate |
| InChI Key | CEOILRYKIJRPBZ-UHFFFAOYSA-N |
| Molecular Formula | C7H10O2 |
Ethyl dibromofluoroacetate, 97%
CAS: 565-53-7 Molecular Formula: C4H5Br2FO2 Molecular Weight (g/mol): 263.89 MDL Number: MFCD00042068 InChI Key: COYRDMUQLSIAEX-UHFFFAOYSA-N Synonym: ethyl dibromofluoroacetate,dibromofluoroacetic acid ethyl ester,ethyldibromofluoroacetate,2,2-dibromo-1-ethoxy-2-fluoroethan-1-one,acmc-1aqw2,ethyl 2,2-dibromo-2-fluoracetate,ethyl 2,2-dibromo-2-fluoro-acetate PubChem CID: 2737168 IUPAC Name: ethyl 2,2-dibromo-2-fluoroacetate SMILES: CCOC(=O)C(F)(Br)Br
| PubChem CID | 2737168 |
|---|---|
| CAS | 565-53-7 |
| Molecular Weight (g/mol) | 263.89 |
| MDL Number | MFCD00042068 |
| SMILES | CCOC(=O)C(F)(Br)Br |
| Synonym | ethyl dibromofluoroacetate,dibromofluoroacetic acid ethyl ester,ethyldibromofluoroacetate,2,2-dibromo-1-ethoxy-2-fluoroethan-1-one,acmc-1aqw2,ethyl 2,2-dibromo-2-fluoracetate,ethyl 2,2-dibromo-2-fluoro-acetate |
| IUPAC Name | ethyl 2,2-dibromo-2-fluoroacetate |
| InChI Key | COYRDMUQLSIAEX-UHFFFAOYSA-N |
| Molecular Formula | C4H5Br2FO2 |
7-Fluorooxindole, 95%
CAS: 71294-03-6 Molecular Formula: C8H6FNO Molecular Weight (g/mol): 151.14 MDL Number: MFCD02179608 InChI Key: VMUIOEOYZHJLEZ-UHFFFAOYSA-N Synonym: 7-fluorooxindole,7-fluoroindolin-2-one,7-fluoro-oxindole,7-fluoro-2-oxindole,7-fluoroindolinone,7-fluoro-1,3-dihydro-2h-indol-2-one,2h-indol-2-one, 7-fluoro-1,3-dihydro,7-fluoro-1,3-dihydro-indol-2-one,7-fluoro-2,3-dihydro-1h-indol-2-one,1,3-dihydro-7-fluoro-2h-indol-2-one PubChem CID: 3734371 IUPAC Name: 7-fluoro-1,3-dihydroindol-2-one SMILES: C1C2=C(C(=CC=C2)F)NC1=O
| PubChem CID | 3734371 |
|---|---|
| CAS | 71294-03-6 |
| Molecular Weight (g/mol) | 151.14 |
| MDL Number | MFCD02179608 |
| SMILES | C1C2=C(C(=CC=C2)F)NC1=O |
| Synonym | 7-fluorooxindole,7-fluoroindolin-2-one,7-fluoro-oxindole,7-fluoro-2-oxindole,7-fluoroindolinone,7-fluoro-1,3-dihydro-2h-indol-2-one,2h-indol-2-one, 7-fluoro-1,3-dihydro,7-fluoro-1,3-dihydro-indol-2-one,7-fluoro-2,3-dihydro-1h-indol-2-one,1,3-dihydro-7-fluoro-2h-indol-2-one |
| IUPAC Name | 7-fluoro-1,3-dihydroindol-2-one |
| InChI Key | VMUIOEOYZHJLEZ-UHFFFAOYSA-N |
| Molecular Formula | C8H6FNO |
1-Acetyl-5-bromoindole, 97%, Thermo Scientific Chemicals
CAS: 61995-52-6 Molecular Formula: C10H8BrNO Molecular Weight (g/mol): 238.084 MDL Number: MFCD00238530 InChI Key: BOMKWHSZGCMFEG-UHFFFAOYSA-N Synonym: 1-acetyl-5-bromoindole,1-acetyl-5-bromo-1h-indole,1-5-bromo-1h-indol-1-yl ethanone,1-5-bromoindol-1-yl ethanone,1-5-bromo-1h-indol-1-yl ethan-1-one,ethanone, 1-5-bromo-1h-indol-1-yl PubChem CID: 12318076 IUPAC Name: 1-(5-bromoindol-1-yl)ethanone SMILES: CC(=O)N1C=CC2=C1C=CC(=C2)Br
| PubChem CID | 12318076 |
|---|---|
| CAS | 61995-52-6 |
| Molecular Weight (g/mol) | 238.084 |
| MDL Number | MFCD00238530 |
| SMILES | CC(=O)N1C=CC2=C1C=CC(=C2)Br |
| Synonym | 1-acetyl-5-bromoindole,1-acetyl-5-bromo-1h-indole,1-5-bromo-1h-indol-1-yl ethanone,1-5-bromoindol-1-yl ethanone,1-5-bromo-1h-indol-1-yl ethan-1-one,ethanone, 1-5-bromo-1h-indol-1-yl |
| IUPAC Name | 1-(5-bromoindol-1-yl)ethanone |
| InChI Key | BOMKWHSZGCMFEG-UHFFFAOYSA-N |
| Molecular Formula | C10H8BrNO |
3,5-Dimethylisoxazole-4-boronic acid pinacol ester, 97%
CAS: 832114-00-8 Molecular Formula: C11H18BNO3 Molecular Weight (g/mol): 223.079 MDL Number: MFCD05863910 InChI Key: CVLHETBAROWASE-UHFFFAOYSA-N Synonym: 3,5-dimethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl isoxazole,3,5-dimethylisoxazole-4-boronic acid pinacol ester,3,5-dimethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl isoxazole,3,5-dimethylisoxazole-4-boronic acid, pinacol ester,3,5-dimethyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl-1,2-oxazole,3,5-dimethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1,2-oxazole,3,5-dimethyl-4-isoxazolyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-3,5-dimethylisoxazol-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,pubchem18439,acmc-209prk PubChem CID: 2758656 IUPAC Name: 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(ON=C2C)C
| PubChem CID | 2758656 |
|---|---|
| CAS | 832114-00-8 |
| Molecular Weight (g/mol) | 223.079 |
| MDL Number | MFCD05863910 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=C(ON=C2C)C |
| Synonym | 3,5-dimethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl isoxazole,3,5-dimethylisoxazole-4-boronic acid pinacol ester,3,5-dimethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl isoxazole,3,5-dimethylisoxazole-4-boronic acid, pinacol ester,3,5-dimethyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl-1,2-oxazole,3,5-dimethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1,2-oxazole,3,5-dimethyl-4-isoxazolyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-3,5-dimethylisoxazol-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,pubchem18439,acmc-209prk |
| IUPAC Name | 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole |
| InChI Key | CVLHETBAROWASE-UHFFFAOYSA-N |
| Molecular Formula | C11H18BNO3 |
Thermo Scientific Chemicals Ethylenediaminetetraacetic acid, Electrophoresis Grade, 99.4+%
CAS: 60-00-4 Molecular Formula: C10H16N2O8 Molecular Weight (g/mol): 292.24 MDL Number: MFCD00003541 InChI Key: KCXVZYZYPLLWCC-UHFFFAOYSA-N Synonym: edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol PubChem CID: 6049 ChEBI: CHEBI:42191 SMILES: OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
| PubChem CID | 6049 |
|---|---|
| CAS | 60-00-4 |
| Molecular Weight (g/mol) | 292.24 |
| ChEBI | CHEBI:42191 |
| MDL Number | MFCD00003541 |
| SMILES | OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O |
| Synonym | edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol |
| InChI Key | KCXVZYZYPLLWCC-UHFFFAOYSA-N |
| Molecular Formula | C10H16N2O8 |
Methyl 4-(methylsulfonylmethyl)benzoate, 98%
CAS: 160446-22-0 Molecular Formula: C10H12O4S Molecular Weight (g/mol): 228.262 MDL Number: MFCD00051693 InChI Key: XCKJFFWCTKJUKD-UHFFFAOYSA-N Synonym: methyl 4-methylsulfonylmethyl benzoate,methyl 4-methanesulfonylmethyl benzoate,methyl 4-methylsulfonyl methyl benzoate,benzoic acid, 4-methylsulfonyl methyl-, methyl ester,acmc-20akgt,maybridge1_002811,methyl 4-methanesulphonylmethyl benzoate PubChem CID: 2804364 IUPAC Name: methyl 4-(methylsulfonylmethyl)benzoate SMILES: COC(=O)C1=CC=C(C=C1)CS(=O)(=O)C
| PubChem CID | 2804364 |
|---|---|
| CAS | 160446-22-0 |
| Molecular Weight (g/mol) | 228.262 |
| MDL Number | MFCD00051693 |
| SMILES | COC(=O)C1=CC=C(C=C1)CS(=O)(=O)C |
| Synonym | methyl 4-methylsulfonylmethyl benzoate,methyl 4-methanesulfonylmethyl benzoate,methyl 4-methylsulfonyl methyl benzoate,benzoic acid, 4-methylsulfonyl methyl-, methyl ester,acmc-20akgt,maybridge1_002811,methyl 4-methanesulphonylmethyl benzoate |
| IUPAC Name | methyl 4-(methylsulfonylmethyl)benzoate |
| InChI Key | XCKJFFWCTKJUKD-UHFFFAOYSA-N |
| Molecular Formula | C10H12O4S |
N,N-Dimethylformamide di-tert-butyl Acetal, tech. 90%
CAS: 36805-97-7 Molecular Formula: C11H25NO2 Molecular Weight (g/mol): 203.326 MDL Number: MFCD00015002 InChI Key: DBNQIOANXZVWIP-UHFFFAOYSA-N Synonym: n,n-dimethylformamide di-tert-butyl acetal,1,1-di-tert-butoxytrimethylamine,1,1-di-tert-butoxy-n,n-dimethylmethanamine,bis tert-butoxy methyl dimethylamine,1,1-bis 1,1-dimethylethoxy-n,n,n-trimethylamine,di-tert-butoxymethyldimethylamine,n,n-dimethylformamide di-t-butyl acetal,methanamine, 1,1-bis 1,1-dimethylethoxy-n,n-dimethyl,1,1-ditert-butoxy-n,n-dimethylmethanamine,1,1-di-tert-butoxy-n,n-dimethylmethylamine PubChem CID: 547712 IUPAC Name: N,N-dimethyl-1,1-bis[(2-methylpropan-2-yl)oxy]methanamine SMILES: CC(C)(C)OC(N(C)C)OC(C)(C)C
| PubChem CID | 547712 |
|---|---|
| CAS | 36805-97-7 |
| Molecular Weight (g/mol) | 203.326 |
| MDL Number | MFCD00015002 |
| SMILES | CC(C)(C)OC(N(C)C)OC(C)(C)C |
| Synonym | n,n-dimethylformamide di-tert-butyl acetal,1,1-di-tert-butoxytrimethylamine,1,1-di-tert-butoxy-n,n-dimethylmethanamine,bis tert-butoxy methyl dimethylamine,1,1-bis 1,1-dimethylethoxy-n,n,n-trimethylamine,di-tert-butoxymethyldimethylamine,n,n-dimethylformamide di-t-butyl acetal,methanamine, 1,1-bis 1,1-dimethylethoxy-n,n-dimethyl,1,1-ditert-butoxy-n,n-dimethylmethanamine,1,1-di-tert-butoxy-n,n-dimethylmethylamine |
| IUPAC Name | N,N-dimethyl-1,1-bis[(2-methylpropan-2-yl)oxy]methanamine |
| InChI Key | DBNQIOANXZVWIP-UHFFFAOYSA-N |
| Molecular Formula | C11H25NO2 |
Ethyl indole-2-carboxylate, 98+%
CAS: 3770-50-1 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.21 MDL Number: MFCD00005609 InChI Key: QQXQAEWRSVZPJM-UHFFFAOYSA-N Synonym: ethyl indole-2-carboxylate,indole-2-carboxylic acid ethyl ester,2-carbethoxyindole,1h-indole-2-carboxylic acid, ethyl ester,indole-2-carboxylic acid, ethyl ester,1h-indole-2-carboxylic acid ethyl ester,ethylindole-2-carboxylate,ethyl 2-indolecarboxylate,1h-indole-2-carboxylic acid,ethyl ester,2-carboethoxyindole PubChem CID: 73125 IUPAC Name: ethyl 1H-indole-2-carboxylate SMILES: CCOC(=O)C1=CC2=CC=CC=C2N1
| PubChem CID | 73125 |
|---|---|
| CAS | 3770-50-1 |
| Molecular Weight (g/mol) | 189.21 |
| MDL Number | MFCD00005609 |
| SMILES | CCOC(=O)C1=CC2=CC=CC=C2N1 |
| Synonym | ethyl indole-2-carboxylate,indole-2-carboxylic acid ethyl ester,2-carbethoxyindole,1h-indole-2-carboxylic acid, ethyl ester,indole-2-carboxylic acid, ethyl ester,1h-indole-2-carboxylic acid ethyl ester,ethylindole-2-carboxylate,ethyl 2-indolecarboxylate,1h-indole-2-carboxylic acid,ethyl ester,2-carboethoxyindole |
| IUPAC Name | ethyl 1H-indole-2-carboxylate |
| InChI Key | QQXQAEWRSVZPJM-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO2 |
Isobutyric anhydride, 97%
CAS: 97-72-3 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00008913 InChI Key: LSACYLWPPQLVSM-UHFFFAOYSA-N Synonym: isobutyric anhydride,isobutyric acid anhydride,propanoic acid, 2-methyl-, anhydride,2-methylpropanoic anhydride,isobutyricanhydride,isobutyryl anhydride,2-methylpropionic anhydride,unii-n85a80fjdt,n85a80fjdt,2-methylpropanoic acid anhydride PubChem CID: 7346 ChEBI: CHEBI:84261 IUPAC Name: 2-methylpropanoyl 2-methylpropanoate SMILES: CC(C)C(=O)OC(=O)C(C)C
| PubChem CID | 7346 |
|---|---|
| CAS | 97-72-3 |
| Molecular Weight (g/mol) | 158.197 |
| ChEBI | CHEBI:84261 |
| MDL Number | MFCD00008913 |
| SMILES | CC(C)C(=O)OC(=O)C(C)C |
| Synonym | isobutyric anhydride,isobutyric acid anhydride,propanoic acid, 2-methyl-, anhydride,2-methylpropanoic anhydride,isobutyricanhydride,isobutyryl anhydride,2-methylpropionic anhydride,unii-n85a80fjdt,n85a80fjdt,2-methylpropanoic acid anhydride |
| IUPAC Name | 2-methylpropanoyl 2-methylpropanoate |
| InChI Key | LSACYLWPPQLVSM-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
Ethyl fluoroacetate, 98%
CAS: 459-72-3 Molecular Formula: C4H7FO2 Molecular Weight (g/mol): 106.096 MDL Number: MFCD00000450 InChI Key: VCYZVXRKYPKDQB-UHFFFAOYSA-N Synonym: ethyl fluoroacetate,ethyl monofluoroacetate,acetic acid, fluoro-, ethyl ester,fluoroacetic acid ethyl ester,unii-aus1l6um7b,ethylester kyseliny fluoroctove,monofluoroacetic acid ethyl ester,aus1l6um7b,ethylester kyseliny fluoroctove czech,acetic acid, 2-fluoro-, ethyl ester PubChem CID: 9988 IUPAC Name: ethyl 2-fluoroacetate SMILES: CCOC(=O)CF
| PubChem CID | 9988 |
|---|---|
| CAS | 459-72-3 |
| Molecular Weight (g/mol) | 106.096 |
| MDL Number | MFCD00000450 |
| SMILES | CCOC(=O)CF |
| Synonym | ethyl fluoroacetate,ethyl monofluoroacetate,acetic acid, fluoro-, ethyl ester,fluoroacetic acid ethyl ester,unii-aus1l6um7b,ethylester kyseliny fluoroctove,monofluoroacetic acid ethyl ester,aus1l6um7b,ethylester kyseliny fluoroctove czech,acetic acid, 2-fluoro-, ethyl ester |
| IUPAC Name | ethyl 2-fluoroacetate |
| InChI Key | VCYZVXRKYPKDQB-UHFFFAOYSA-N |
| Molecular Formula | C4H7FO2 |