Organic acids and derivatives
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n-Octyl gallate, 98+%
CAS: 1034-01-1 Molecular Formula: C15H22O5 Molecular Weight (g/mol): 282.336 MDL Number: MFCD00002197 InChI Key: NRPKURNSADTHLJ-UHFFFAOYSA-N Synonym: octyl gallate,n-octyl gallate,progallin o,stabilizer ga 8,n-octylgallate,gallic acid, octyl ester,gallic acid n-octyl ester,gallic acid octyl ester,benzoic acid, 3,4,5-trihydroxy-, octyl ester,oktylester kyseliny gallove PubChem CID: 61253 ChEBI: CHEBI:83631 IUPAC Name: octyl 3,4,5-trihydroxybenzoate SMILES: CCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O
| PubChem CID | 61253 |
|---|---|
| CAS | 1034-01-1 |
| Molecular Weight (g/mol) | 282.336 |
| ChEBI | CHEBI:83631 |
| MDL Number | MFCD00002197 |
| SMILES | CCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O |
| Synonym | octyl gallate,n-octyl gallate,progallin o,stabilizer ga 8,n-octylgallate,gallic acid, octyl ester,gallic acid n-octyl ester,gallic acid octyl ester,benzoic acid, 3,4,5-trihydroxy-, octyl ester,oktylester kyseliny gallove |
| IUPAC Name | octyl 3,4,5-trihydroxybenzoate |
| InChI Key | NRPKURNSADTHLJ-UHFFFAOYSA-N |
| Molecular Formula | C15H22O5 |
p-Nitrophenyl Phosphate, Disodium Salt Hexahydrate, MP Biomedicals
CAS: 4264-83-9 Molecular Formula: C6H4NNa2O6P Molecular Weight (g/mol): 263.05 MDL Number: MFCD00007319 InChI Key: VIYFPAMJCJLZKD-UHFFFAOYSA-L Synonym: pnpp,disodium 4-nitrophenylphosphate,sodium 4-nitrophenyl phosphate,disodium 4-nitrophenyl phosphate,phosphoric acid, mono 4-nitrophenyl ester, disodium salt,disodium p-nitrophenyl phosphate,phosphoric acid, mono 4-nitrophenyl ester, sodium salt 1:2,p-nitrophenyl phosphate,pnpp liquid substrate system PubChem CID: 77949 IUPAC Name: disodium 4-nitrophenyl phosphate SMILES: [Na+].[Na+].[O-][N+](=O)C1=CC=C(OP([O-])([O-])=O)C=C1
| PubChem CID | 77949 |
|---|---|
| CAS | 4264-83-9 |
| Molecular Weight (g/mol) | 263.05 |
| MDL Number | MFCD00007319 |
| SMILES | [Na+].[Na+].[O-][N+](=O)C1=CC=C(OP([O-])([O-])=O)C=C1 |
| Synonym | pnpp,disodium 4-nitrophenylphosphate,sodium 4-nitrophenyl phosphate,disodium 4-nitrophenyl phosphate,phosphoric acid, mono 4-nitrophenyl ester, disodium salt,disodium p-nitrophenyl phosphate,phosphoric acid, mono 4-nitrophenyl ester, sodium salt 1:2,p-nitrophenyl phosphate,pnpp liquid substrate system |
| IUPAC Name | disodium 4-nitrophenyl phosphate |
| InChI Key | VIYFPAMJCJLZKD-UHFFFAOYSA-L |
| Molecular Formula | C6H4NNa2O6P |
Phenyl phosphate, disodium salt dihydrate, 98%
CAS: 66778-08-3 Molecular Formula: C6H5Na2O4P·2H2O Molecular Weight (g/mol): 254.09 MDL Number: MFCD00149080 InChI Key: UMRLIPYPVZYYFT-UHFFFAOYSA-N Synonym: sodiumphenylphosphatedibasicdihydrate PubChem CID: 131883070 IUPAC Name: phenyl dihydrogen phosphate;sodium;dihydrate SMILES: C1=CC=C(C=C1)OP(=O)(O)O.O.O.[Na].[Na]
| PubChem CID | 131883070 |
|---|---|
| CAS | 66778-08-3 |
| Molecular Weight (g/mol) | 254.09 |
| MDL Number | MFCD00149080 |
| SMILES | C1=CC=C(C=C1)OP(=O)(O)O.O.O.[Na].[Na] |
| Synonym | sodiumphenylphosphatedibasicdihydrate |
| IUPAC Name | phenyl dihydrogen phosphate;sodium;dihydrate |
| InChI Key | UMRLIPYPVZYYFT-UHFFFAOYSA-N |
| Molecular Formula | C6H5Na2O4P·2H2O |
Triphenyl phosphate, 98%
CAS: 115-86-6 Molecular Formula: C18H15O4P Molecular Weight (g/mol): 326.29 MDL Number: MFCD00003031 InChI Key: XZZNDPSIHUTMOC-UHFFFAOYSA-N Synonym: triphenylphosphate,phosphoric acid, triphenyl ester,disflamoll tp,triphenoxyphosphine oxide,celluflex tpp,phosflex tpp,trifenylfosfat,phenyl phosphate pho 3po,phosphoric acid triphenyl ester,trifenylfosfat czech PubChem CID: 8289 ChEBI: CHEBI:35033 IUPAC Name: triphenyl phosphate SMILES: O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC=CC=C1
| PubChem CID | 8289 |
|---|---|
| CAS | 115-86-6 |
| Molecular Weight (g/mol) | 326.29 |
| ChEBI | CHEBI:35033 |
| MDL Number | MFCD00003031 |
| SMILES | O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC=CC=C1 |
| Synonym | triphenylphosphate,phosphoric acid, triphenyl ester,disflamoll tp,triphenoxyphosphine oxide,celluflex tpp,phosflex tpp,trifenylfosfat,phenyl phosphate pho 3po,phosphoric acid triphenyl ester,trifenylfosfat czech |
| IUPAC Name | triphenyl phosphate |
| InChI Key | XZZNDPSIHUTMOC-UHFFFAOYSA-N |
| Molecular Formula | C18H15O4P |
5-Bromo-4-chloro-3-indolyl phosphate disodium salt, 98+%, Thermo Scientific Chemicals
CAS: 102185-33-1 Molecular Formula: C8H4BrClNNa2O4P Molecular Weight (g/mol): 370.43 MDL Number: MFCD00036757 InChI Key: OAZUOCJOEUNDEK-UHFFFAOYSA-L PubChem CID: 6097197 IUPAC Name: disodium;(5-bromo-4-chloro-1H-indol-3-yl) phosphate SMILES: [Na+].[Na+].[O-]P([O-])(=O)OC1=CNC2=CC=C(Br)C(Cl)=C12
| PubChem CID | 6097197 |
|---|---|
| CAS | 102185-33-1 |
| Molecular Weight (g/mol) | 370.43 |
| MDL Number | MFCD00036757 |
| SMILES | [Na+].[Na+].[O-]P([O-])(=O)OC1=CNC2=CC=C(Br)C(Cl)=C12 |
| IUPAC Name | disodium;(5-bromo-4-chloro-1H-indol-3-yl) phosphate |
| InChI Key | OAZUOCJOEUNDEK-UHFFFAOYSA-L |
| Molecular Formula | C8H4BrClNNa2O4P |
5-Bromo-4-Chloro-3-Indolyl Phosphate Disodium Salt, MP Biomedicals™
CAS: 102185-33-1 Molecular Formula: C8H4BrClNNa2O4P Molecular Weight (g/mol): 370.43 MDL Number: MFCD00036757 InChI Key: OAZUOCJOEUNDEK-UHFFFAOYSA-L PubChem CID: 6097197 IUPAC Name: disodium 5-bromo-4-chloro-1H-indol-3-yl phosphate SMILES: [Na+].[Na+].[O-]P([O-])(=O)OC1=CNC2=CC=C(Br)C(Cl)=C12
| PubChem CID | 6097197 |
|---|---|
| CAS | 102185-33-1 |
| Molecular Weight (g/mol) | 370.43 |
| MDL Number | MFCD00036757 |
| SMILES | [Na+].[Na+].[O-]P([O-])(=O)OC1=CNC2=CC=C(Br)C(Cl)=C12 |
| IUPAC Name | disodium 5-bromo-4-chloro-1H-indol-3-yl phosphate |
| InChI Key | OAZUOCJOEUNDEK-UHFFFAOYSA-L |
| Molecular Formula | C8H4BrClNNa2O4P |
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 |
4-Nitrophenyl phosphate disodium salt hexahydrate, 5mg tablets, Thermo Scientific Chemicals
CAS: 4264-83-9 Molecular Formula: C6H4NNa2O6P Molecular Weight (g/mol): 263.05 MDL Number: MFCD00007319 InChI Key: VIYFPAMJCJLZKD-UHFFFAOYSA-L Synonym: pnpp,disodium 4-nitrophenylphosphate,sodium 4-nitrophenyl phosphate,disodium 4-nitrophenyl phosphate,phosphoric acid, mono 4-nitrophenyl ester, disodium salt,disodium p-nitrophenyl phosphate,phosphoric acid, mono 4-nitrophenyl ester, sodium salt 1:2,p-nitrophenyl phosphate,pnpp liquid substrate system PubChem CID: 77949 IUPAC Name: disodium;(4-nitrophenyl) phosphate SMILES: [Na+].[Na+].[O-][N+](=O)C1=CC=C(OP([O-])([O-])=O)C=C1
| PubChem CID | 77949 |
|---|---|
| CAS | 4264-83-9 |
| Molecular Weight (g/mol) | 263.05 |
| MDL Number | MFCD00007319 |
| SMILES | [Na+].[Na+].[O-][N+](=O)C1=CC=C(OP([O-])([O-])=O)C=C1 |
| Synonym | pnpp,disodium 4-nitrophenylphosphate,sodium 4-nitrophenyl phosphate,disodium 4-nitrophenyl phosphate,phosphoric acid, mono 4-nitrophenyl ester, disodium salt,disodium p-nitrophenyl phosphate,phosphoric acid, mono 4-nitrophenyl ester, sodium salt 1:2,p-nitrophenyl phosphate,pnpp liquid substrate system |
| IUPAC Name | disodium;(4-nitrophenyl) phosphate |
| InChI Key | VIYFPAMJCJLZKD-UHFFFAOYSA-L |
| Molecular Formula | C6H4NNa2O6P |
Diphenyl phosphate, 97%
CAS: 838-85-7 Molecular Formula: C12H11O4P Molecular Weight (g/mol): 250.19 MDL Number: MFCD00003033 InChI Key: ASMQGLCHMVWBQR-UHFFFAOYSA-N Synonym: diphenyl phosphate,phosphoric acid, diphenyl ester,phenyl hydrogen phosphate,phenyl phosphate pho 2 ho po,diphenoxyphosphinic acid,phosphoric acid diphenyl ester,diphenylphosphoric acid,phosphoric acid diphenyl,dsstox_cid_28182 PubChem CID: 13282 IUPAC Name: diphenyl hydrogen phosphate SMILES: OP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1
| PubChem CID | 13282 |
|---|---|
| CAS | 838-85-7 |
| Molecular Weight (g/mol) | 250.19 |
| MDL Number | MFCD00003033 |
| SMILES | OP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1 |
| Synonym | diphenyl phosphate,phosphoric acid, diphenyl ester,phenyl hydrogen phosphate,phenyl phosphate pho 2 ho po,diphenoxyphosphinic acid,phosphoric acid diphenyl ester,diphenylphosphoric acid,phosphoric acid diphenyl,dsstox_cid_28182 |
| IUPAC Name | diphenyl hydrogen phosphate |
| InChI Key | ASMQGLCHMVWBQR-UHFFFAOYSA-N |
| Molecular Formula | C12H11O4P |
Ethyl 4-pyrazolecarboxylate, 98%, Thermo Scientific™
CAS: 37622-90-5 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.14 MDL Number: MFCD00010844 InChI Key: KACZQOKEFKFNDB-UHFFFAOYSA-N Synonym: ethyl 4-pyrazolecarboxylate,ethyl pyrazole-4-carboxylate,1h-pyrazole-4-carboxylic acid ethyl ester,4-ethoxycarbonylpyrazole,1h-pyrazole-4-carboxylic acid, ethyl ester,4-pyrazolecarboxylic acid ethyl ester,ethyl4-pyrazolecarboxylate,zlchem 132,pubchem21939,acmc-209iug PubChem CID: 142179 IUPAC Name: ethyl 1H-pyrazole-4-carboxylate SMILES: CCOC(=O)C1=CNN=C1
| PubChem CID | 142179 |
|---|---|
| CAS | 37622-90-5 |
| Molecular Weight (g/mol) | 140.14 |
| MDL Number | MFCD00010844 |
| SMILES | CCOC(=O)C1=CNN=C1 |
| Synonym | ethyl 4-pyrazolecarboxylate,ethyl pyrazole-4-carboxylate,1h-pyrazole-4-carboxylic acid ethyl ester,4-ethoxycarbonylpyrazole,1h-pyrazole-4-carboxylic acid, ethyl ester,4-pyrazolecarboxylic acid ethyl ester,ethyl4-pyrazolecarboxylate,zlchem 132,pubchem21939,acmc-209iug |
| IUPAC Name | ethyl 1H-pyrazole-4-carboxylate |
| InChI Key | KACZQOKEFKFNDB-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2 |
Ethyl 3-ethoxyacrylate, 98%
CAS: 1001-26-9 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009863 InChI Key: ITQFPVUDTFABDH-AATRIKPKSA-N Synonym: ethyl 3-ethoxyacrylate,e-ethyl 3-ethoxyacrylate,ethyl 3-ethoxy-2-propenoate,ethyl trans-3-ethoxyacrylate,ethyl .beta.-ethoxyacrylate,3-ethoxyacrylic acid ethyl ester,ethyl 2e-3-ethoxyprop-2-enoate,e-3-ethoxy-acrylic acid ethyl ester,ethyl3-ethoxyacrylate,ethyl 3-ethoxypropenoate PubChem CID: 5366269 IUPAC Name: ethyl (E)-3-ethoxyprop-2-enoate SMILES: CCOC=CC(=O)OCC
| PubChem CID | 5366269 |
|---|---|
| CAS | 1001-26-9 |
| Molecular Weight (g/mol) | 144.17 |
| MDL Number | MFCD00009863 |
| SMILES | CCOC=CC(=O)OCC |
| Synonym | ethyl 3-ethoxyacrylate,e-ethyl 3-ethoxyacrylate,ethyl 3-ethoxy-2-propenoate,ethyl trans-3-ethoxyacrylate,ethyl .beta.-ethoxyacrylate,3-ethoxyacrylic acid ethyl ester,ethyl 2e-3-ethoxyprop-2-enoate,e-3-ethoxy-acrylic acid ethyl ester,ethyl3-ethoxyacrylate,ethyl 3-ethoxypropenoate |
| IUPAC Name | ethyl (E)-3-ethoxyprop-2-enoate |
| InChI Key | ITQFPVUDTFABDH-AATRIKPKSA-N |
| Molecular Formula | C7H12O3 |
| CAS | 5118-06-9 |
|---|---|
| MDL Number | MFCD00055642 |
ethyle5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate, 97%, Thermo Scientific™
CAS: 138907-68-3 Molecular Formula: C12H12FN3O2 Molecular Weight (g/mol): 249.25 MDL Number: MFCD00173917 InChI Key: RPPPCKSHIYWAPW-UHFFFAOYSA-N Synonym: ethyl 5-amino-1-4-fluorophenyl-1h-pyrazole-4-carboxylate,ethyl 5-amino-1-4-fluorophenyl pyrazole-4-carboxylate,ethyl 5-amino-1-4-fluoro-phenyl-1h-pyrazole-4-carboxylate,5-amino-1-4-fluorophenyl-1h-pyrazole-4-carboxylic acid ethyl ester,5-amino-4-ethoxycarbonyl-1-4-fluorophenyl-1h-pyrazole,1-5-amino-4-ethoxycarbonyl-1h-pyrazol-1-yl-4-fluorobenzene,maybridge1_006170,ethyl5-amino-1-4-fluorophenyl-1h-pyrazole-4-carboxylate,ethylaminofluorophenylpyrazolecarboxylate,5-amino-1-4-fluorophenyl-1h-pyrazole-4-carboxyli PubChem CID: 688689 IUPAC Name: ethyl 5-amino-1-(4-fluorophenyl)pyrazole-4-carboxylate SMILES: CCOC(=O)C1=C(N)N(N=C1)C1=CC=C(F)C=C1
| PubChem CID | 688689 |
|---|---|
| CAS | 138907-68-3 |
| Molecular Weight (g/mol) | 249.25 |
| MDL Number | MFCD00173917 |
| SMILES | CCOC(=O)C1=C(N)N(N=C1)C1=CC=C(F)C=C1 |
| Synonym | ethyl 5-amino-1-4-fluorophenyl-1h-pyrazole-4-carboxylate,ethyl 5-amino-1-4-fluorophenyl pyrazole-4-carboxylate,ethyl 5-amino-1-4-fluoro-phenyl-1h-pyrazole-4-carboxylate,5-amino-1-4-fluorophenyl-1h-pyrazole-4-carboxylic acid ethyl ester,5-amino-4-ethoxycarbonyl-1-4-fluorophenyl-1h-pyrazole,1-5-amino-4-ethoxycarbonyl-1h-pyrazol-1-yl-4-fluorobenzene,maybridge1_006170,ethyl5-amino-1-4-fluorophenyl-1h-pyrazole-4-carboxylate,ethylaminofluorophenylpyrazolecarboxylate,5-amino-1-4-fluorophenyl-1h-pyrazole-4-carboxyli |
| IUPAC Name | ethyl 5-amino-1-(4-fluorophenyl)pyrazole-4-carboxylate |
| InChI Key | RPPPCKSHIYWAPW-UHFFFAOYSA-N |
| Molecular Formula | C12H12FN3O2 |
Antipyrine, 99%
CAS: 60-80-0 Molecular Formula: C11H12N2O Molecular Weight (g/mol): 188.23 MDL Number: MFCD00003146 InChI Key: VEQOALNAAJBPNY-UHFFFAOYSA-N Synonym: antipyrine,phenazone,antipyrin,phenazon,analgesine,anodynine,anodynin,azophen,fenazone,2,3-dimethyl-1-phenyl-5-pyrazolone PubChem CID: 2206 ChEBI: CHEBI:31225 IUPAC Name: 1,5-dimethyl-2-phenylpyrazol-3-one SMILES: CC1=CC(=O)N(N1C)C2=CC=CC=C2
| PubChem CID | 2206 |
|---|---|
| CAS | 60-80-0 |
| Molecular Weight (g/mol) | 188.23 |
| ChEBI | CHEBI:31225 |
| MDL Number | MFCD00003146 |
| SMILES | CC1=CC(=O)N(N1C)C2=CC=CC=C2 |
| Synonym | antipyrine,phenazone,antipyrin,phenazon,analgesine,anodynine,anodynin,azophen,fenazone,2,3-dimethyl-1-phenyl-5-pyrazolone |
| IUPAC Name | 1,5-dimethyl-2-phenylpyrazol-3-one |
| InChI Key | VEQOALNAAJBPNY-UHFFFAOYSA-N |
| Molecular Formula | C11H12N2O |
1-Methyl-5-phenyl-1H-pyrazole-4-carboxylic acid, 97%, Thermo Scientific™
CAS: 105994-75-0 Molecular Formula: C11H10N2O2 Molecular Weight (g/mol): 202.213 MDL Number: MFCD04038957 InChI Key: MXGOKNNGBUOAGF-UHFFFAOYSA-N Synonym: 1-methyl-5-phenyl-1h-pyrazole-4-carboxylic acid,1h-pyrazole-4-carboxylicacid, 1-methyl-5-phenyl,acmc-1c8ot,1h-pyrazole-4-carboxylic acid, 1-methyl-5-phenyl,1ff PubChem CID: 2795474 IUPAC Name: 1-methyl-5-phenylpyrazole-4-carboxylic acid SMILES: CN1C(=C(C=N1)C(=O)O)C2=CC=CC=C2
| PubChem CID | 2795474 |
|---|---|
| CAS | 105994-75-0 |
| Molecular Weight (g/mol) | 202.213 |
| MDL Number | MFCD04038957 |
| SMILES | CN1C(=C(C=N1)C(=O)O)C2=CC=CC=C2 |
| Synonym | 1-methyl-5-phenyl-1h-pyrazole-4-carboxylic acid,1h-pyrazole-4-carboxylicacid, 1-methyl-5-phenyl,acmc-1c8ot,1h-pyrazole-4-carboxylic acid, 1-methyl-5-phenyl,1ff |
| IUPAC Name | 1-methyl-5-phenylpyrazole-4-carboxylic acid |
| InChI Key | MXGOKNNGBUOAGF-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2O2 |