Organic acids and derivatives
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Ethylboronic acid, 95%
CAS: 4433-63-0 Molecular Formula: C2H7BO2 Molecular Weight (g/mol): 73.89 MDL Number: MFCD01074536 InChI Key: PAVZHTXVORCEHP-UHFFFAOYSA-N Synonym: boronic acid, ethyl,ethaneboronic acid,ethyldihydroxyborane,ethyl boronic acid,boronic acid, ethyl-9ci,ethylboronicacid,pubchem7960,ethylboric acid,etb oh 2 PubChem CID: 521157 IUPAC Name: ethylboronic acid SMILES: CCB(O)O
| PubChem CID | 521157 |
|---|---|
| CAS | 4433-63-0 |
| Molecular Weight (g/mol) | 73.89 |
| MDL Number | MFCD01074536 |
| SMILES | CCB(O)O |
| Synonym | boronic acid, ethyl,ethaneboronic acid,ethyldihydroxyborane,ethyl boronic acid,boronic acid, ethyl-9ci,ethylboronicacid,pubchem7960,ethylboric acid,etb oh 2 |
| IUPAC Name | ethylboronic acid |
| InChI Key | PAVZHTXVORCEHP-UHFFFAOYSA-N |
| Molecular Formula | C2H7BO2 |
N-(2-Chloroethyl)acetamide, 98%
CAS: 7355-58-0 Molecular Formula: C4H8ClNO Molecular Weight (g/mol): 121.57 MDL Number: MFCD00000965 InChI Key: HSKNJSHFPPHTAQ-UHFFFAOYSA-N Synonym: n-2-chloroethyl acetamide,acetamide, n-2-chloroethyl,n-2-chloro-ethyl-acetamide,n-acetyl-2-chloroethylamine,n 2-chloroethyl acetamide,n-acetyl-ss-chlorathylamin,acmc-1bi05,n-2-chloroethyl-acetamide,4-04-00-00449 beilstein handbook reference PubChem CID: 81815 IUPAC Name: N-(2-chloroethyl)acetamide SMILES: CC(=O)NCCCl
| PubChem CID | 81815 |
|---|---|
| CAS | 7355-58-0 |
| Molecular Weight (g/mol) | 121.57 |
| MDL Number | MFCD00000965 |
| SMILES | CC(=O)NCCCl |
| Synonym | n-2-chloroethyl acetamide,acetamide, n-2-chloroethyl,n-2-chloro-ethyl-acetamide,n-acetyl-2-chloroethylamine,n 2-chloroethyl acetamide,n-acetyl-ss-chlorathylamin,acmc-1bi05,n-2-chloroethyl-acetamide,4-04-00-00449 beilstein handbook reference |
| IUPAC Name | N-(2-chloroethyl)acetamide |
| InChI Key | HSKNJSHFPPHTAQ-UHFFFAOYSA-N |
| Molecular Formula | C4H8ClNO |
Propyl propionate, 98+%
CAS: 106-36-5 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009373 InChI Key: MCSINKKTEDDPNK-UHFFFAOYSA-N Synonym: propyl propionate,n-propyl propionate,propanoic acid, propyl ester,n-propyl propanoate,propionic acid, propyl ester,n-propyl n-propionate,propylester kyseliny propionove,unii-g09trv00gk,propyl propionate natural,propionic acid n-propyl ester PubChem CID: 7803 IUPAC Name: propyl propanoate SMILES: CCCOC(=O)CC
| PubChem CID | 7803 |
|---|---|
| CAS | 106-36-5 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00009373 |
| SMILES | CCCOC(=O)CC |
| Synonym | propyl propionate,n-propyl propionate,propanoic acid, propyl ester,n-propyl propanoate,propionic acid, propyl ester,n-propyl n-propionate,propylester kyseliny propionove,unii-g09trv00gk,propyl propionate natural,propionic acid n-propyl ester |
| IUPAC Name | propyl propanoate |
| InChI Key | MCSINKKTEDDPNK-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
Isopropyl acetate, 99+%, for analysis
CAS: 108-21-4 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 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) | 102.13 |
| 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 |
Sulfamide, 98+%
CAS: 7803-58-9 Molecular Formula: H4N2O2S Molecular Weight (g/mol): 96.10 MDL Number: MFCD00011606 InChI Key: NVBFHJWHLNUMCV-UHFFFAOYSA-N Synonym: sulfuric diamide,sulfamamide,sulfuryl amide,sulfonyl diamide,sulfuryl diamide,sulfamoylamine,sulphamide,sulphuric diamide,unii-vs7tzw634v,imidosulfamic acid PubChem CID: 82267 ChEBI: CHEBI:29368 IUPAC Name: sulfamoylamine SMILES: NS(N)(=O)=O
| PubChem CID | 82267 |
|---|---|
| CAS | 7803-58-9 |
| Molecular Weight (g/mol) | 96.10 |
| ChEBI | CHEBI:29368 |
| MDL Number | MFCD00011606 |
| SMILES | NS(N)(=O)=O |
| Synonym | sulfuric diamide,sulfamamide,sulfuryl amide,sulfonyl diamide,sulfuryl diamide,sulfamoylamine,sulphamide,sulphuric diamide,unii-vs7tzw634v,imidosulfamic acid |
| IUPAC Name | sulfamoylamine |
| InChI Key | NVBFHJWHLNUMCV-UHFFFAOYSA-N |
| Molecular Formula | H4N2O2S |
1-Isobutyl-1H-pyrazole-4-boronic acid pinacol ester, 97%
CAS: 827614-66-4 Molecular Formula: C13H23BN2O2 Molecular Weight (g/mol): 250.15 MDL Number: MFCD05663857 InChI Key: YMEBZRNYQBODKB-UHFFFAOYSA-N Synonym: 1-isobutyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-isobutylpyrazole-4-boronic acid pinacol ester,1-2-methylpropyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-isobutyl-1h-pyrazole-4-boronic acid pinacol ester,1-isobutyl-1h-pyrazole-4-boronic acid, pinacol ester,1-2-methylpropyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-isobutyl-pyrazole-4-boronic acid pinacol ester,1-2-methylpropyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole,1h-pyrazole, 1-2-methylpropyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,1-isobutyl-4-4 PubChem CID: 2759392 IUPAC Name: 1-(2-methylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole SMILES: CC(C)CN1C=C(C=N1)B1OC(C)(C)C(C)(C)O1
| PubChem CID | 2759392 |
|---|---|
| CAS | 827614-66-4 |
| Molecular Weight (g/mol) | 250.15 |
| MDL Number | MFCD05663857 |
| SMILES | CC(C)CN1C=C(C=N1)B1OC(C)(C)C(C)(C)O1 |
| Synonym | 1-isobutyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-isobutylpyrazole-4-boronic acid pinacol ester,1-2-methylpropyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-isobutyl-1h-pyrazole-4-boronic acid pinacol ester,1-isobutyl-1h-pyrazole-4-boronic acid, pinacol ester,1-2-methylpropyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-isobutyl-pyrazole-4-boronic acid pinacol ester,1-2-methylpropyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole,1h-pyrazole, 1-2-methylpropyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,1-isobutyl-4-4 |
| IUPAC Name | 1-(2-methylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
| InChI Key | YMEBZRNYQBODKB-UHFFFAOYSA-N |
| Molecular Formula | C13H23BN2O2 |
4-Acryloylmorpholine, 97%
CAS: 5117-12-4 Molecular Formula: C7H11NO2 Molecular Weight (g/mol): 141.17 InChI Key: XLPJNCYCZORXHG-UHFFFAOYSA-N SMILES: C=CC(=O)N1CCOCC1
| CAS | 5117-12-4 |
|---|---|
| Molecular Weight (g/mol) | 141.17 |
| SMILES | C=CC(=O)N1CCOCC1 |
| InChI Key | XLPJNCYCZORXHG-UHFFFAOYSA-N |
| Molecular Formula | C7H11NO2 |
Methyl 2-(hydroxymethyl)acrylate, 85%, stabilized with 0.1 wt.% MEHQ
CAS: 15484-46-5 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.12 MDL Number: MFCD12545894 InChI Key: RFUCOAQWQVDBEU-UHFFFAOYSA-N Synonym: methyl 2-hydroxymethyl acrylate,methyl 2-hydroxymethyl prop-2-enoate,methyl2-hydroxymethyl acrylate,methyl-2-hydroxymethyl-acrylate,pubchem17373,methyl 2-hydroxymethylacrylate,methyl alpha-hydroxymethylacrylate,2-hydroxymethylacrylate methyl ester,2-methylolacrylic acid methyl ester,methyl alpha-hydroxymethyl acrylate PubChem CID: 11815329 IUPAC Name: methyl 2-(hydroxymethyl)prop-2-enoate SMILES: COC(=O)C(=C)CO
| PubChem CID | 11815329 |
|---|---|
| CAS | 15484-46-5 |
| Molecular Weight (g/mol) | 116.12 |
| MDL Number | MFCD12545894 |
| SMILES | COC(=O)C(=C)CO |
| Synonym | methyl 2-hydroxymethyl acrylate,methyl 2-hydroxymethyl prop-2-enoate,methyl2-hydroxymethyl acrylate,methyl-2-hydroxymethyl-acrylate,pubchem17373,methyl 2-hydroxymethylacrylate,methyl alpha-hydroxymethylacrylate,2-hydroxymethylacrylate methyl ester,2-methylolacrylic acid methyl ester,methyl alpha-hydroxymethyl acrylate |
| IUPAC Name | methyl 2-(hydroxymethyl)prop-2-enoate |
| InChI Key | RFUCOAQWQVDBEU-UHFFFAOYSA-N |
| Molecular Formula | C5H8O3 |
Calcium Formate, 98%, Pure
CAS: 544-17-2 Molecular Formula: C2H2CaO4 Molecular Weight (g/mol): 130.11 MDL Number: MFCD00036108 InChI Key: CBOCVOKPQGJKKJ-UHFFFAOYSA-L Synonym: calcium formate,calcium diformate,formic acid, calcium salt,calcoform,unii-np3jd65npy,mravencan vapenaty czech,calcium formate ca hco2 2,formic acid calcium salt,np3jd65npy,formic acid, calcium salt 2:1 PubChem CID: 10997 ChEBI: CHEBI:81851 IUPAC Name: calcium;diformate SMILES: C(=O)[O-].C(=O)[O-].[Ca+2]
| PubChem CID | 10997 |
|---|---|
| CAS | 544-17-2 |
| Molecular Weight (g/mol) | 130.11 |
| ChEBI | CHEBI:81851 |
| MDL Number | MFCD00036108 |
| SMILES | C(=O)[O-].C(=O)[O-].[Ca+2] |
| Synonym | calcium formate,calcium diformate,formic acid, calcium salt,calcoform,unii-np3jd65npy,mravencan vapenaty czech,calcium formate ca hco2 2,formic acid calcium salt,np3jd65npy,formic acid, calcium salt 2:1 |
| IUPAC Name | calcium;diformate |
| InChI Key | CBOCVOKPQGJKKJ-UHFFFAOYSA-L |
| Molecular Formula | C2H2CaO4 |
4-Nitrophenylboronic acid, 97%
CAS: 24067-17-2 Molecular Formula: C6H6BNO4 Molecular Weight (g/mol): 166.93 MDL Number: MFCD00161360 InChI Key: NSFJAFZHYOAMHL-UHFFFAOYSA-N Synonym: 4-nitrophenyl boronic acid,4-nitrobenzeneboronic acid,p-nitrophenylboronic acid,4-nitrophenylboronicacid,p-nitrophenyl boronic acid,4-nitro phenyl boronic acid,boronic acid, 4-nitrophenyl,boronic acid, b-4-nitrophenyl,4-borononitrobenzene PubChem CID: 2773552 IUPAC Name: (4-nitrophenyl)boronic acid SMILES: OB(O)C1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 2773552 |
|---|---|
| CAS | 24067-17-2 |
| Molecular Weight (g/mol) | 166.93 |
| MDL Number | MFCD00161360 |
| SMILES | OB(O)C1=CC=C(C=C1)[N+]([O-])=O |
| Synonym | 4-nitrophenyl boronic acid,4-nitrobenzeneboronic acid,p-nitrophenylboronic acid,4-nitrophenylboronicacid,p-nitrophenyl boronic acid,4-nitro phenyl boronic acid,boronic acid, 4-nitrophenyl,boronic acid, b-4-nitrophenyl,4-borononitrobenzene |
| IUPAC Name | (4-nitrophenyl)boronic acid |
| InChI Key | NSFJAFZHYOAMHL-UHFFFAOYSA-N |
| Molecular Formula | C6H6BNO4 |
Terephthalic dihydrazide, 95%
CAS: 136-64-1 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00014762 InChI Key: ALHNLFMSAXZKRC-UHFFFAOYSA-N Synonym: terephthalic dihydrazide,terephthalohydrazide,terephthalic acid dihydrazide,terephthalic hydrazide,1,4-benzenedicarboxylic acid, dihydrazide,terephthaloyl dihydrazide,terephthalic acid bishydrazide,terephthalic acid, dihydrazide,terephthalhydrazide,terephthalicdihydrazide PubChem CID: 67294 IUPAC Name: benzene-1,4-dicarbohydrazide SMILES: NNC(=O)C1=CC=C(C=C1)C(=O)NN
| PubChem CID | 67294 |
|---|---|
| CAS | 136-64-1 |
| Molecular Weight (g/mol) | 194.19 |
| MDL Number | MFCD00014762 |
| SMILES | NNC(=O)C1=CC=C(C=C1)C(=O)NN |
| Synonym | terephthalic dihydrazide,terephthalohydrazide,terephthalic acid dihydrazide,terephthalic hydrazide,1,4-benzenedicarboxylic acid, dihydrazide,terephthaloyl dihydrazide,terephthalic acid bishydrazide,terephthalic acid, dihydrazide,terephthalhydrazide,terephthalicdihydrazide |
| IUPAC Name | benzene-1,4-dicarbohydrazide |
| InChI Key | ALHNLFMSAXZKRC-UHFFFAOYSA-N |
| Molecular Formula | C8H10N4O2 |
L-Dihydroorotic acid, 99%
CAS: 5988-19-2 Molecular Formula: C5H6N2O4 Molecular Weight (g/mol): 158.11 InChI Key: UFIVEPVSAGBUSI-REOHCLBHSA-N Synonym: l-dihydroorotic acid,s-2,6-dioxohexahydropyrimidine-4-carboxylic acid,l-dihydroorotate,dihydro-l-orotic acid,s-dihydroorotic acid,l-hydroorotic acid,s-dihydroorotate,hydroorotic acid, l,4s-2,6-dioxo-1,3-diazinane-4-carboxylic acid,s-4,5-dihydroorotate PubChem CID: 439216 ChEBI: CHEBI:17025 IUPAC Name: (4S)-2,6-dioxo-1,3-diazinane-4-carboxylic acid SMILES: C1C(NC(=O)NC1=O)C(=O)O
| PubChem CID | 439216 |
|---|---|
| CAS | 5988-19-2 |
| Molecular Weight (g/mol) | 158.11 |
| ChEBI | CHEBI:17025 |
| SMILES | C1C(NC(=O)NC1=O)C(=O)O |
| Synonym | l-dihydroorotic acid,s-2,6-dioxohexahydropyrimidine-4-carboxylic acid,l-dihydroorotate,dihydro-l-orotic acid,s-dihydroorotic acid,l-hydroorotic acid,s-dihydroorotate,hydroorotic acid, l,4s-2,6-dioxo-1,3-diazinane-4-carboxylic acid,s-4,5-dihydroorotate |
| IUPAC Name | (4S)-2,6-dioxo-1,3-diazinane-4-carboxylic acid |
| InChI Key | UFIVEPVSAGBUSI-REOHCLBHSA-N |
| Molecular Formula | C5H6N2O4 |
Diethyl (phthalimidomethyl)phosphonate, 97%
CAS: 33512-26-4 Molecular Formula: C13H16NO5P Molecular Weight (g/mol): 297.247 MDL Number: MFCD00134313 InChI Key: IUZMHUAHKBHJFY-UHFFFAOYSA-N Synonym: diethyl phthalimidomethyl phosphonate,diethyl 1,3-dioxoisoindolin-2-yl methyl phosphonate,phthalimidomethyl phosphonic acid diethyl ester,diethyl 1,3-dioxoisoindol-2-yl methylphosphonate,2-diethoxycarbonyl methyl benzo c azoline-1,3-dione,acmc-1cp9b,diethyl phthalimidomethylphosphonate,n-diethoxyphosphoryl methyl phthalimide PubChem CID: 1924456 IUPAC Name: 2-(diethoxyphosphorylmethyl)isoindole-1,3-dione SMILES: CCOP(=O)(CN1C(=O)C2=CC=CC=C2C1=O)OCC
| PubChem CID | 1924456 |
|---|---|
| CAS | 33512-26-4 |
| Molecular Weight (g/mol) | 297.247 |
| MDL Number | MFCD00134313 |
| SMILES | CCOP(=O)(CN1C(=O)C2=CC=CC=C2C1=O)OCC |
| Synonym | diethyl phthalimidomethyl phosphonate,diethyl 1,3-dioxoisoindolin-2-yl methyl phosphonate,phthalimidomethyl phosphonic acid diethyl ester,diethyl 1,3-dioxoisoindol-2-yl methylphosphonate,2-diethoxycarbonyl methyl benzo c azoline-1,3-dione,acmc-1cp9b,diethyl phthalimidomethylphosphonate,n-diethoxyphosphoryl methyl phthalimide |
| IUPAC Name | 2-(diethoxyphosphorylmethyl)isoindole-1,3-dione |
| InChI Key | IUZMHUAHKBHJFY-UHFFFAOYSA-N |
| Molecular Formula | C13H16NO5P |
Acetoxyacetone, 97%
CAS: 592-20-1 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.116 MDL Number: MFCD00042848 InChI Key: DBERHVIZRVGDFO-UHFFFAOYSA-N Synonym: acetoxyacetone,acetonyl acetate,acetol acetate,2-propanone, 1-acetyloxy,acetoxypropanone,o-acetylacetol,1-acetoxyacetone,acetylmethyl acetate,acetoxy-2-propanone,1-acetoxy-2-propanone PubChem CID: 11593 IUPAC Name: 2-oxopropyl acetate SMILES: CC(=O)COC(=O)C
| PubChem CID | 11593 |
|---|---|
| CAS | 592-20-1 |
| Molecular Weight (g/mol) | 116.116 |
| MDL Number | MFCD00042848 |
| SMILES | CC(=O)COC(=O)C |
| Synonym | acetoxyacetone,acetonyl acetate,acetol acetate,2-propanone, 1-acetyloxy,acetoxypropanone,o-acetylacetol,1-acetoxyacetone,acetylmethyl acetate,acetoxy-2-propanone,1-acetoxy-2-propanone |
| IUPAC Name | 2-oxopropyl acetate |
| InChI Key | DBERHVIZRVGDFO-UHFFFAOYSA-N |
| Molecular Formula | C5H8O3 |
2-(3-Pyridyl)benzimidazole-6-carboxylic acid, 97%
CAS: 312496-16-5 Molecular Formula: C13H9N3O2 Molecular Weight (g/mol): 239.234 MDL Number: MFCD01414693 InChI Key: DHRPCXYIVJXXJR-UHFFFAOYSA-N Synonym: 1h-benzimidazole-6-carboxylicacid, 2-3-pyridinyl,2-pyridin-3-yl-3h-1,3-benzodiazole-5-carboxylic acid,2-pyridin-3-yl-3h-benzoimidazole-5-carboxylic acid,2-3-pyridyl benzimidazole-6-carboxylic acid,6-carboxy-2-pyridin-3-yl-1h-benzimidazole,2-pyridin-3-yl-1h-benzoimidazole-5-carboxylic acid,2-3-pyridinyl-1h-benzoimidazole-5-carboxylic acid,2-pyridin-3-yl-1h-benzimidazole-5-carboxylic acid,2-pyridin-3-yl-3h-benzimidazole-5-carboxylic acid PubChem CID: 2771805 IUPAC Name: 2-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid SMILES: C1=CC(=CN=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)O
| PubChem CID | 2771805 |
|---|---|
| CAS | 312496-16-5 |
| Molecular Weight (g/mol) | 239.234 |
| MDL Number | MFCD01414693 |
| SMILES | C1=CC(=CN=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)O |
| Synonym | 1h-benzimidazole-6-carboxylicacid, 2-3-pyridinyl,2-pyridin-3-yl-3h-1,3-benzodiazole-5-carboxylic acid,2-pyridin-3-yl-3h-benzoimidazole-5-carboxylic acid,2-3-pyridyl benzimidazole-6-carboxylic acid,6-carboxy-2-pyridin-3-yl-1h-benzimidazole,2-pyridin-3-yl-1h-benzoimidazole-5-carboxylic acid,2-3-pyridinyl-1h-benzoimidazole-5-carboxylic acid,2-pyridin-3-yl-1h-benzimidazole-5-carboxylic acid,2-pyridin-3-yl-3h-benzimidazole-5-carboxylic acid |
| IUPAC Name | 2-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid |
| InChI Key | DHRPCXYIVJXXJR-UHFFFAOYSA-N |
| Molecular Formula | C13H9N3O2 |