Organic acids and derivatives
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Ethyl 2-Fluoroacetoacetate 95.0+%, TCI America™
CAS: 1522-41-4 Molecular Formula: C6H9FO3 Molecular Weight (g/mol): 148.133 MDL Number: MFCD00215830 InChI Key: SHTFQLHOTAJQRJ-UHFFFAOYSA-N Synonym: ethyl 2-fluoroacetoacetate,ethyl2-fluoroacetoacetate,2-fluoro-3-oxo-butanoic acid ethyl ester,2-fluoroacetoacetic acid ethyl ester,ethyl 2-fluoro-3-oxobutyrate,2-fluoro-3-oxo-butyric acid ethyl ester,ethyl 2-fluoro-3-oxo-butanoate,ethyl-2-fluoroacetoacetate,ethyl-2-fluoro-3-oxobutanoate,fluoroacetoacetic acid ethyl ester PubChem CID: 230078 IUPAC Name: ethyl 2-fluoro-3-oxobutanoate SMILES: CCOC(=O)C(C(=O)C)F
| PubChem CID | 230078 |
|---|---|
| CAS | 1522-41-4 |
| Molecular Weight (g/mol) | 148.133 |
| MDL Number | MFCD00215830 |
| SMILES | CCOC(=O)C(C(=O)C)F |
| Synonym | ethyl 2-fluoroacetoacetate,ethyl2-fluoroacetoacetate,2-fluoro-3-oxo-butanoic acid ethyl ester,2-fluoroacetoacetic acid ethyl ester,ethyl 2-fluoro-3-oxobutyrate,2-fluoro-3-oxo-butyric acid ethyl ester,ethyl 2-fluoro-3-oxo-butanoate,ethyl-2-fluoroacetoacetate,ethyl-2-fluoro-3-oxobutanoate,fluoroacetoacetic acid ethyl ester |
| IUPAC Name | ethyl 2-fluoro-3-oxobutanoate |
| InChI Key | SHTFQLHOTAJQRJ-UHFFFAOYSA-N |
| Molecular Formula | C6H9FO3 |
cis-1,2,3,6-Tetrahydrophthalimide 98.0+%, TCI America™
CAS: 1469-48-3 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00005880 InChI Key: CIFFBTOJCKSRJY-OLQVQODUSA-N Synonym: cis-1,2,3,6-tetrahydrophthalimide,cis-3a,4,7,7a-tetrahydro-1h-isoindole-1,3 2h-dione,cis-4-cyclohexene-1,2-dicarboximide,cis-tetrahydrophthalimide,unii-es57d28o1u,4-cyclohexene-1,2-dicarboximide, cis,cis-.delta.4-tetrahydrophthalimide,1h-isoindole-1,3 2h-dione, 3a,4,7,7a-tetrahydro-, cis,1h-isoindole-1,3 2h-dione, 3a,4,7,7a-tetrahydro-, 3ar,7as-rel,3ar,7as-3a,4,7,7a-tetrahydroisoindole-1,3-dione PubChem CID: 92888 IUPAC Name: (3aR,7aS)-3a,4,7,7a-tetrahydroisoindole-1,3-dione SMILES: C1C=CCC2C1C(=O)NC2=O
| PubChem CID | 92888 |
|---|---|
| CAS | 1469-48-3 |
| Molecular Weight (g/mol) | 151.165 |
| MDL Number | MFCD00005880 |
| SMILES | C1C=CCC2C1C(=O)NC2=O |
| Synonym | cis-1,2,3,6-tetrahydrophthalimide,cis-3a,4,7,7a-tetrahydro-1h-isoindole-1,3 2h-dione,cis-4-cyclohexene-1,2-dicarboximide,cis-tetrahydrophthalimide,unii-es57d28o1u,4-cyclohexene-1,2-dicarboximide, cis,cis-.delta.4-tetrahydrophthalimide,1h-isoindole-1,3 2h-dione, 3a,4,7,7a-tetrahydro-, cis,1h-isoindole-1,3 2h-dione, 3a,4,7,7a-tetrahydro-, 3ar,7as-rel,3ar,7as-3a,4,7,7a-tetrahydroisoindole-1,3-dione |
| IUPAC Name | (3aR,7aS)-3a,4,7,7a-tetrahydroisoindole-1,3-dione |
| InChI Key | CIFFBTOJCKSRJY-OLQVQODUSA-N |
| Molecular Formula | C8H9NO2 |
Ethyl 4-Methyl-2-pyrrolecarboxylate 97.0+%, TCI America™
CAS: 40611-85-6 Molecular Formula: C8H11NO2 Molecular Weight (g/mol): 153.18 MDL Number: MFCD00191668 InChI Key: RWFKYBVNHRKZSN-UHFFFAOYSA-N Synonym: 4-Methyl-2-pyrrolecarboxylic Acid Ethyl Ester PubChem CID: 643361 IUPAC Name: ethyl 4-methyl-1H-pyrrole-2-carboxylate SMILES: CCOC(=O)C1=CC(C)=CN1
| PubChem CID | 643361 |
|---|---|
| CAS | 40611-85-6 |
| Molecular Weight (g/mol) | 153.18 |
| MDL Number | MFCD00191668 |
| SMILES | CCOC(=O)C1=CC(C)=CN1 |
| Synonym | 4-Methyl-2-pyrrolecarboxylic Acid Ethyl Ester |
| IUPAC Name | ethyl 4-methyl-1H-pyrrole-2-carboxylate |
| InChI Key | RWFKYBVNHRKZSN-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO2 |
1-Propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole 98.0+%, TCI America™
CAS: 827614-69-7 Molecular Formula: C12H21BN2O2 Molecular Weight (g/mol): 236.12 MDL Number: MFCD05663871 InChI Key: BKLGYJWLZWMIDO-UHFFFAOYSA-N Synonym: 1-propyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-propyl-1h-pyrazole-4-boronic acid pinacol ester,1-propyl-1h-pyrazole-4-boronic acid, pinacol ester,1-propyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole,1-propylpyrazole-4-boronic acid pinacol ester,1h-pyrazole, 1-propyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,1-propyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole,1-propyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-propyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-1h-pyrazole,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1-propyl-1h-pyrazole PubChem CID: 2760487 IUPAC Name: 1-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole SMILES: CCCN1C=C(C=N1)B1OC(C)(C)C(C)(C)O1
| PubChem CID | 2760487 |
|---|---|
| CAS | 827614-69-7 |
| Molecular Weight (g/mol) | 236.12 |
| MDL Number | MFCD05663871 |
| SMILES | CCCN1C=C(C=N1)B1OC(C)(C)C(C)(C)O1 |
| Synonym | 1-propyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-propyl-1h-pyrazole-4-boronic acid pinacol ester,1-propyl-1h-pyrazole-4-boronic acid, pinacol ester,1-propyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole,1-propylpyrazole-4-boronic acid pinacol ester,1h-pyrazole, 1-propyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,1-propyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole,1-propyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-propyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-1h-pyrazole,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1-propyl-1h-pyrazole |
| IUPAC Name | 1-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole |
| InChI Key | BKLGYJWLZWMIDO-UHFFFAOYSA-N |
| Molecular Formula | C12H21BN2O2 |
Isoamyl Butyrate 98.0+%, TCI America™
CAS: 106-27-4 Molecular Formula: C9H18O2 Molecular Weight (g/mol): 158.24 MDL Number: MFCD00044888 InChI Key: PQLMXFQTAMDXIZ-UHFFFAOYSA-N Synonym: isoamyl butyrate,isopentyl butyrate,isopentyl butanoate,isoamyl butanoate,butanoic acid, 3-methylbutyl ester,3-methylbutyl butyrate,butyric acid, isopentyl ester,isoamyl-n-butyrate,isopentyl alcohol, butyrate,isoamyl butylate PubChem CID: 7795 ChEBI: CHEBI:87422 IUPAC Name: 3-methylbutyl butanoate SMILES: CCCC(=O)OCCC(C)C
| PubChem CID | 7795 |
|---|---|
| CAS | 106-27-4 |
| Molecular Weight (g/mol) | 158.24 |
| ChEBI | CHEBI:87422 |
| MDL Number | MFCD00044888 |
| SMILES | CCCC(=O)OCCC(C)C |
| Synonym | isoamyl butyrate,isopentyl butyrate,isopentyl butanoate,isoamyl butanoate,butanoic acid, 3-methylbutyl ester,3-methylbutyl butyrate,butyric acid, isopentyl ester,isoamyl-n-butyrate,isopentyl alcohol, butyrate,isoamyl butylate |
| IUPAC Name | 3-methylbutyl butanoate |
| InChI Key | PQLMXFQTAMDXIZ-UHFFFAOYSA-N |
| Molecular Formula | C9H18O2 |
2-Chloroethyl p-Toluenesulfonate 98.0+%, TCI America™
CAS: 80-41-1 Molecular Formula: C9H11ClO3S Molecular Weight (g/mol): 234.694 MDL Number: MFCD00000970 InChI Key: ZXNMIUJDTOMBPV-UHFFFAOYSA-N Synonym: 2-chloroethyl p-toluenesulfonate,2-chloroethyl tosylate,2-chloroethyl p-tosylate,2-tosyloxyethyl chloride,2-chloroethanol p-toluenesulfonate,p-toluenesulfonic acid, 2-chloroethyl ester,ethanol, 2-chloro-, 4-methylbenzenesulfonate,2-p-toluenesulfonyloxy ethyl chloride,2-chloroethyl-p-toluenesulfonate,p-toluenesulfonic acid-2-chloroethyl ester PubChem CID: 6639 IUPAC Name: 2-chloroethyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCCl
| PubChem CID | 6639 |
|---|---|
| CAS | 80-41-1 |
| Molecular Weight (g/mol) | 234.694 |
| MDL Number | MFCD00000970 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCCl |
| Synonym | 2-chloroethyl p-toluenesulfonate,2-chloroethyl tosylate,2-chloroethyl p-tosylate,2-tosyloxyethyl chloride,2-chloroethanol p-toluenesulfonate,p-toluenesulfonic acid, 2-chloroethyl ester,ethanol, 2-chloro-, 4-methylbenzenesulfonate,2-p-toluenesulfonyloxy ethyl chloride,2-chloroethyl-p-toluenesulfonate,p-toluenesulfonic acid-2-chloroethyl ester |
| IUPAC Name | 2-chloroethyl 4-methylbenzenesulfonate |
| InChI Key | ZXNMIUJDTOMBPV-UHFFFAOYSA-N |
| Molecular Formula | C9H11ClO3S |
N-Ethylsuccinimide 98.0+%, TCI America™
CAS: 2314-78-5 Molecular Formula: C6H9NO2 Molecular Weight (g/mol): 127.143 MDL Number: MFCD00059748 InChI Key: GHAZCVNUKKZTLG-UHFFFAOYSA-N PubChem CID: 16842 ChEBI: CHEBI:44348 IUPAC Name: 1-ethylpyrrolidine-2,5-dione SMILES: CCN1C(=O)CCC1=O
| PubChem CID | 16842 |
|---|---|
| CAS | 2314-78-5 |
| Molecular Weight (g/mol) | 127.143 |
| ChEBI | CHEBI:44348 |
| MDL Number | MFCD00059748 |
| SMILES | CCN1C(=O)CCC1=O |
| IUPAC Name | 1-ethylpyrrolidine-2,5-dione |
| InChI Key | GHAZCVNUKKZTLG-UHFFFAOYSA-N |
| Molecular Formula | C6H9NO2 |
Ethyl Gallate 98.0+%, TCI America™
CAS: 831-61-8 Molecular Formula: C9H10O5 Molecular Weight (g/mol): 198.174 MDL Number: MFCD00016430 InChI Key: VFPFQHQNJCMNBZ-UHFFFAOYSA-N Synonym: ethyl gallate,gallic acid ethyl ester,phyllemblin,nipagallin a,progallin a,ethylgallate,nipa no. 48,gallic acid, ethyl ester,benzoic acid, 3,4,5-trihydroxy-, ethyl ester,nipa 48 PubChem CID: 13250 ChEBI: CHEBI:87247 IUPAC Name: ethyl 3,4,5-trihydroxybenzoate SMILES: CCOC(=O)C1=CC(=C(C(=C1)O)O)O
| PubChem CID | 13250 |
|---|---|
| CAS | 831-61-8 |
| Molecular Weight (g/mol) | 198.174 |
| ChEBI | CHEBI:87247 |
| MDL Number | MFCD00016430 |
| SMILES | CCOC(=O)C1=CC(=C(C(=C1)O)O)O |
| Synonym | ethyl gallate,gallic acid ethyl ester,phyllemblin,nipagallin a,progallin a,ethylgallate,nipa no. 48,gallic acid, ethyl ester,benzoic acid, 3,4,5-trihydroxy-, ethyl ester,nipa 48 |
| IUPAC Name | ethyl 3,4,5-trihydroxybenzoate |
| InChI Key | VFPFQHQNJCMNBZ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O5 |
N4-Ethyl-N4-(2-methanesulfonamidoethyl)-2-methyl-1,4-phenylenediamine Sesquisulfate Monohydrate 98.0+%, TCI America™
CAS: 24567-76-8 Molecular Formula: C24H48N6O16S5 Molecular Weight (g/mol): 836.974 InChI Key: NPDFXFLCEDDWEG-UHFFFAOYSA-N Synonym: N-[2-[(4-Amino-3-methylphenyl)ethylamino]ethyl]methanesulfonamide Sesquisulfate PubChem CID: 91578 IUPAC Name: N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;sulfuric acid SMILES: CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N)C.CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N)C.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O
| PubChem CID | 91578 |
|---|---|
| CAS | 24567-76-8 |
| Molecular Weight (g/mol) | 836.974 |
| SMILES | CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N)C.CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N)C.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O |
| Synonym | N-[2-[(4-Amino-3-methylphenyl)ethylamino]ethyl]methanesulfonamide Sesquisulfate |
| IUPAC Name | N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;sulfuric acid |
| InChI Key | NPDFXFLCEDDWEG-UHFFFAOYSA-N |
| Molecular Formula | C24H48N6O16S5 |
N-Cinnamoyl-N-(2,3-xylyl)hydroxylamine 98.0+%, TCI America™
CAS: 69891-38-9 Molecular Formula: C17H17NO2 Molecular Weight (g/mol): 267.328 MDL Number: MFCD00059308 InChI Key: SLIQYZYALKWWAT-UHFFFAOYSA-N Synonym: N-(2,3-Xylyl)-N-cinnamoylhydroxylamine PubChem CID: 53396032 IUPAC Name: N-(2,3-dimethylphenyl)-N-hydroxy-3-phenylprop-2-enamide SMILES: CC1=C(C(=CC=C1)N(C(=O)C=CC2=CC=CC=C2)O)C
| PubChem CID | 53396032 |
|---|---|
| CAS | 69891-38-9 |
| Molecular Weight (g/mol) | 267.328 |
| MDL Number | MFCD00059308 |
| SMILES | CC1=C(C(=CC=C1)N(C(=O)C=CC2=CC=CC=C2)O)C |
| Synonym | N-(2,3-Xylyl)-N-cinnamoylhydroxylamine |
| IUPAC Name | N-(2,3-dimethylphenyl)-N-hydroxy-3-phenylprop-2-enamide |
| InChI Key | SLIQYZYALKWWAT-UHFFFAOYSA-N |
| Molecular Formula | C17H17NO2 |
Ethyl 2-Chloropropionate 97.0+%, TCI America™
CAS: 535-13-7 Molecular Formula: C5H9ClO2 Molecular Weight (g/mol): 136.58 MDL Number: MFCD00000864 InChI Key: JEAVBVKAYUCPAQ-UHFFFAOYNA-N PubChem CID: 10807 IUPAC Name: ethyl 2-chloropropanoate SMILES: CCOC(=O)C(C)Cl
| PubChem CID | 10807 |
|---|---|
| CAS | 535-13-7 |
| Molecular Weight (g/mol) | 136.58 |
| MDL Number | MFCD00000864 |
| SMILES | CCOC(=O)C(C)Cl |
| IUPAC Name | ethyl 2-chloropropanoate |
| InChI Key | JEAVBVKAYUCPAQ-UHFFFAOYNA-N |
| Molecular Formula | C5H9ClO2 |
5,5-Dimethylhydantoin 98.0+%, TCI America™
CAS: 77-71-4 Molecular Formula: C5H8N2O2 Molecular Weight (g/mol): 128.13 MDL Number: MFCD00005266 InChI Key: YIROYDNZEPTFOL-UHFFFAOYSA-N Synonym: 5,5-dimethylhydantoin,dimethylhydantoin,dm hydantoin,dantoin dmh,2,4-imidazolidinedione, 5,5-dimethyl,5,5-dimethyl-2,4-imidazolidinedione,dantoin 736,hydantoin, 5,5-dimethyl,5,5-dimethylhydantoin dmh,5,5-dimethyl hydantoin PubChem CID: 6491 IUPAC Name: 5,5-dimethylimidazolidine-2,4-dione SMILES: CC1(C)NC(=O)NC1=O
| PubChem CID | 6491 |
|---|---|
| CAS | 77-71-4 |
| Molecular Weight (g/mol) | 128.13 |
| MDL Number | MFCD00005266 |
| SMILES | CC1(C)NC(=O)NC1=O |
| Synonym | 5,5-dimethylhydantoin,dimethylhydantoin,dm hydantoin,dantoin dmh,2,4-imidazolidinedione, 5,5-dimethyl,5,5-dimethyl-2,4-imidazolidinedione,dantoin 736,hydantoin, 5,5-dimethyl,5,5-dimethylhydantoin dmh,5,5-dimethyl hydantoin |
| IUPAC Name | 5,5-dimethylimidazolidine-2,4-dione |
| InChI Key | YIROYDNZEPTFOL-UHFFFAOYSA-N |
| Molecular Formula | C5H8N2O2 |
Ethyl Levulinate 98.0+%, TCI America™
CAS: 539-88-8 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009209 InChI Key: GMEONFUTDYJSNV-UHFFFAOYSA-N Synonym: ethyl levulinate,ethyl levulate,ethyl laevulinate,levulinic acid, ethyl ester,ethyl 4-ketovalerate,ethyl 3-acetylpropionate,ethyl 4-oxovalerate,pentanoic acid, 4-oxo-, ethyl ester,ethyl ketovalerate,ethyl acetylpropanoate PubChem CID: 10883 IUPAC Name: ethyl 4-oxopentanoate SMILES: CCOC(=O)CCC(C)=O
| PubChem CID | 10883 |
|---|---|
| CAS | 539-88-8 |
| Molecular Weight (g/mol) | 144.17 |
| MDL Number | MFCD00009209 |
| SMILES | CCOC(=O)CCC(C)=O |
| Synonym | ethyl levulinate,ethyl levulate,ethyl laevulinate,levulinic acid, ethyl ester,ethyl 4-ketovalerate,ethyl 3-acetylpropionate,ethyl 4-oxovalerate,pentanoic acid, 4-oxo-, ethyl ester,ethyl ketovalerate,ethyl acetylpropanoate |
| IUPAC Name | ethyl 4-oxopentanoate |
| InChI Key | GMEONFUTDYJSNV-UHFFFAOYSA-N |
| Molecular Formula | C7H12O3 |
Pentabromobenzyl Acrylate 98.0+%, TCI America™
CAS: 59447-55-1 Molecular Formula: C10H5Br5O2 Molecular Weight (g/mol): 556.668 MDL Number: MFCD00804467 InChI Key: GRKDVZMVHOLESV-UHFFFAOYSA-N Synonym: Acrylic Acid Pentabromobenzyl Ester PubChem CID: 101059 IUPAC Name: (2,3,4,5,6-pentabromophenyl)methyl prop-2-enoate SMILES: C=CC(=O)OCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br
| PubChem CID | 101059 |
|---|---|
| CAS | 59447-55-1 |
| Molecular Weight (g/mol) | 556.668 |
| MDL Number | MFCD00804467 |
| SMILES | C=CC(=O)OCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br |
| Synonym | Acrylic Acid Pentabromobenzyl Ester |
| IUPAC Name | (2,3,4,5,6-pentabromophenyl)methyl prop-2-enoate |
| InChI Key | GRKDVZMVHOLESV-UHFFFAOYSA-N |
| Molecular Formula | C10H5Br5O2 |
Glyceryl Ascorbate 95.0+%, TCI America™
CAS: 1120360-13-5 Molecular Formula: C9H14O8 Molecular Weight (g/mol): 250.20 MDL Number: MFCD28386108 InChI Key: KQWQJCDIYBPYNT-UHFFFAOYNA-N Synonym: 2-O-(2,3-Dihydroxypropyl)-L-ascorbic Acid PubChem CID: 133556317 IUPAC Name: 5-(1,2-dihydroxyethyl)-3-(2,3-dihydroxypropoxy)-4-hydroxy-2,5-dihydrofuran-2-one SMILES: OCC(O)COC1=C(O)C(OC1=O)C(O)CO
| PubChem CID | 133556317 |
|---|---|
| CAS | 1120360-13-5 |
| Molecular Weight (g/mol) | 250.20 |
| MDL Number | MFCD28386108 |
| SMILES | OCC(O)COC1=C(O)C(OC1=O)C(O)CO |
| Synonym | 2-O-(2,3-Dihydroxypropyl)-L-ascorbic Acid |
| IUPAC Name | 5-(1,2-dihydroxyethyl)-3-(2,3-dihydroxypropoxy)-4-hydroxy-2,5-dihydrofuran-2-one |
| InChI Key | KQWQJCDIYBPYNT-UHFFFAOYNA-N |
| Molecular Formula | C9H14O8 |