Organic acids and derivatives
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Sodium dichloroacetate, 96%
CAS: 2156-56-1 Molecular Formula: C2HCl2NaO2 Molecular Weight (g/mol): 150.92 MDL Number: MFCD00070489 InChI Key: LUPNKHXLFSSUGS-UHFFFAOYSA-M Synonym: sodium dichloroacetate,sodium 2,2-dichloroacetate,dichloroacetic acid sodium salt,acetic acid, dichloro-, sodium salt,ceresine,dichloroacetate sodium,dichloroctan sodny czech,sodium dichloroacetate usan,ccris 7697,dichloroacetic acid, sodium salt PubChem CID: 517326 IUPAC Name: sodium;2,2-dichloroacetate SMILES: [Na+].[O-]C(=O)C(Cl)Cl
| PubChem CID | 517326 |
|---|---|
| CAS | 2156-56-1 |
| Molecular Weight (g/mol) | 150.92 |
| MDL Number | MFCD00070489 |
| SMILES | [Na+].[O-]C(=O)C(Cl)Cl |
| Synonym | sodium dichloroacetate,sodium 2,2-dichloroacetate,dichloroacetic acid sodium salt,acetic acid, dichloro-, sodium salt,ceresine,dichloroacetate sodium,dichloroctan sodny czech,sodium dichloroacetate usan,ccris 7697,dichloroacetic acid, sodium salt |
| IUPAC Name | sodium;2,2-dichloroacetate |
| InChI Key | LUPNKHXLFSSUGS-UHFFFAOYSA-M |
| Molecular Formula | C2HCl2NaO2 |
3-Fluoropyridine-4-boronic acid, 98%
CAS: 458532-97-3 Molecular Formula: C5H5BFNO2 Molecular Weight (g/mol): 140.908 MDL Number: MFCD03788558 InChI Key: QUHSESYLMZVXCN-UHFFFAOYSA-N Synonym: 3-fluoropyridine-4-boronic acid,3-fluoropyridin-4-yl boronic acid,3-fluoropyridin-4-yl-4-boronic acid,3-fluoro-4-pyridyl boronic acid,boronic acid, 3-fluoro-4-pyridinyl,3-fluoro-4-pyridylboronic acid,3-fluoropyridin-4-yl boranediol,3-fluoro-4-pyridineboronic acid,3-fluoropyridine-4-boronicacid PubChem CID: 2779353 IUPAC Name: (3-fluoropyridin-4-yl)boronic acid SMILES: B(C1=C(C=NC=C1)F)(O)O
| PubChem CID | 2779353 |
|---|---|
| CAS | 458532-97-3 |
| Molecular Weight (g/mol) | 140.908 |
| MDL Number | MFCD03788558 |
| SMILES | B(C1=C(C=NC=C1)F)(O)O |
| Synonym | 3-fluoropyridine-4-boronic acid,3-fluoropyridin-4-yl boronic acid,3-fluoropyridin-4-yl-4-boronic acid,3-fluoro-4-pyridyl boronic acid,boronic acid, 3-fluoro-4-pyridinyl,3-fluoro-4-pyridylboronic acid,3-fluoropyridin-4-yl boranediol,3-fluoro-4-pyridineboronic acid,3-fluoropyridine-4-boronicacid |
| IUPAC Name | (3-fluoropyridin-4-yl)boronic acid |
| InChI Key | QUHSESYLMZVXCN-UHFFFAOYSA-N |
| Molecular Formula | C5H5BFNO2 |
4-n-Butylbenzamide, 97%
CAS: 107377-07-1 Molecular Formula: C11H15NO Molecular Weight (g/mol): 177.247 MDL Number: MFCD00221466 InChI Key: KFINRIKJBULSTD-UHFFFAOYSA-N Synonym: 4-n-butylbenzamide,benzamide, 4-butyl,p-butylbenzamid,acmc-20e7n2 PubChem CID: 2801458 IUPAC Name: 4-butylbenzamide SMILES: CCCCC1=CC=C(C=C1)C(=O)N
| PubChem CID | 2801458 |
|---|---|
| CAS | 107377-07-1 |
| Molecular Weight (g/mol) | 177.247 |
| MDL Number | MFCD00221466 |
| SMILES | CCCCC1=CC=C(C=C1)C(=O)N |
| Synonym | 4-n-butylbenzamide,benzamide, 4-butyl,p-butylbenzamid,acmc-20e7n2 |
| IUPAC Name | 4-butylbenzamide |
| InChI Key | KFINRIKJBULSTD-UHFFFAOYSA-N |
| Molecular Formula | C11H15NO |
4-Methylvaleric acid, 99%
CAS: 646-07-1 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00002803 InChI Key: FGKJLKRYENPLQH-UHFFFAOYSA-N Synonym: 4-methylvaleric acid,isocaproic acid,isohexanoic acid,pentanoic acid, 4-methyl,isobutylacetic acid,4-methyl-pentanoic acid,valeric acid, 4-methyl,4-methyl valeric acid,isocaproate,4,4-dimethylbutanoic acid PubChem CID: 12587 ChEBI: CHEBI:74903 IUPAC Name: 4-methylpentanoic acid SMILES: CC(C)CCC(=O)O
| PubChem CID | 12587 |
|---|---|
| CAS | 646-07-1 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:74903 |
| MDL Number | MFCD00002803 |
| SMILES | CC(C)CCC(=O)O |
| Synonym | 4-methylvaleric acid,isocaproic acid,isohexanoic acid,pentanoic acid, 4-methyl,isobutylacetic acid,4-methyl-pentanoic acid,valeric acid, 4-methyl,4-methyl valeric acid,isocaproate,4,4-dimethylbutanoic acid |
| IUPAC Name | 4-methylpentanoic acid |
| InChI Key | FGKJLKRYENPLQH-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
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 |
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 |
Dihydrofluorescein diacetate, 97%
CAS: 35340-49-9 Molecular Formula: C24H18O7 Molecular Weight (g/mol): 418.401 MDL Number: MFCD00005056 InChI Key: YKSJJXGQHSESKB-UHFFFAOYSA-N Synonym: dihydrofluorescein diacetate,2-3,6-diacetoxy-9h-xanthen-9-yl benzoic acid,diacetyldihydrofluorescein,2-3,6-diacetoxy-9h-xanth-9-yl benzoic acid,2-3,6-bis acetyloxy-9h-xanthen-9-yl benzoic acid,dihydrofluorescein diacetate h2fda,2-3,6-diacetyloxy-9h-xanthen-9-yl benzoic acid,2-3,6-bis acetyloxy-9h-xanthen-9-yl benzoic acid # PubChem CID: 629056 IUPAC Name: 2-(3,6-diacetyloxy-9H-xanthen-9-yl)benzoic acid SMILES: CC(=O)OC1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)OC(=O)C)C4=CC=CC=C4C(=O)O
| PubChem CID | 629056 |
|---|---|
| CAS | 35340-49-9 |
| Molecular Weight (g/mol) | 418.401 |
| MDL Number | MFCD00005056 |
| SMILES | CC(=O)OC1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)OC(=O)C)C4=CC=CC=C4C(=O)O |
| Synonym | dihydrofluorescein diacetate,2-3,6-diacetoxy-9h-xanthen-9-yl benzoic acid,diacetyldihydrofluorescein,2-3,6-diacetoxy-9h-xanth-9-yl benzoic acid,2-3,6-bis acetyloxy-9h-xanthen-9-yl benzoic acid,dihydrofluorescein diacetate h2fda,2-3,6-diacetyloxy-9h-xanthen-9-yl benzoic acid,2-3,6-bis acetyloxy-9h-xanthen-9-yl benzoic acid # |
| IUPAC Name | 2-(3,6-diacetyloxy-9H-xanthen-9-yl)benzoic acid |
| InChI Key | YKSJJXGQHSESKB-UHFFFAOYSA-N |
| Molecular Formula | C24H18O7 |
3-Pyridinesulfonic acid, 98%
CAS: 636-73-7 Molecular Formula: C5H4NO3S Molecular Weight (g/mol): 158.15 MDL Number: MFCD00006381 InChI Key: DVECLMOWYVDJRM-UHFFFAOYSA-M Synonym: 3-pyridinesulfonic acid,pyridine-3-sulphonic acid,3-pyridylsulfonic acid,3-pyridine sulfonic acid,3-sulfopyridine,beta-sulfopyridine,3-pyridinesulfonicacid,pubchem9608,pyridin-3-sulfonic acid,acmc-209nh7 PubChem CID: 69468 IUPAC Name: pyridine-3-sulfonic acid SMILES: [O-]S(=O)(=O)C1=CC=CN=C1
| PubChem CID | 69468 |
|---|---|
| CAS | 636-73-7 |
| Molecular Weight (g/mol) | 158.15 |
| MDL Number | MFCD00006381 |
| SMILES | [O-]S(=O)(=O)C1=CC=CN=C1 |
| Synonym | 3-pyridinesulfonic acid,pyridine-3-sulphonic acid,3-pyridylsulfonic acid,3-pyridine sulfonic acid,3-sulfopyridine,beta-sulfopyridine,3-pyridinesulfonicacid,pubchem9608,pyridin-3-sulfonic acid,acmc-209nh7 |
| IUPAC Name | pyridine-3-sulfonic acid |
| InChI Key | DVECLMOWYVDJRM-UHFFFAOYSA-M |
| Molecular Formula | C5H4NO3S |
alpha-Fluorophenylacetic acid, 97%
CAS: 1578-63-8 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00004221 InChI Key: ATPPNMLQNZHDOG-UHFFFAOYSA-N Synonym: alpha-fluorophenylacetic acid,fluorophenylacetic acid,fluoro phenyl acetic acid,.alpha.-fluorophenylacetic acid,benzeneacetic acid, .alpha.-fluoro,fluorophenyl acetic acid,a-fluorophenylacetic acid,a-fluorobenzeneacetic acid,a-fluorophenyl acetic acid,acmc-1bt6i PubChem CID: 102649 IUPAC Name: 2-fluoro-2-phenylacetic acid SMILES: C1=CC=C(C=C1)C(C(=O)O)F
| PubChem CID | 102649 |
|---|---|
| CAS | 1578-63-8 |
| Molecular Weight (g/mol) | 154.14 |
| MDL Number | MFCD00004221 |
| SMILES | C1=CC=C(C=C1)C(C(=O)O)F |
| Synonym | alpha-fluorophenylacetic acid,fluorophenylacetic acid,fluoro phenyl acetic acid,.alpha.-fluorophenylacetic acid,benzeneacetic acid, .alpha.-fluoro,fluorophenyl acetic acid,a-fluorophenylacetic acid,a-fluorobenzeneacetic acid,a-fluorophenyl acetic acid,acmc-1bt6i |
| IUPAC Name | 2-fluoro-2-phenylacetic acid |
| InChI Key | ATPPNMLQNZHDOG-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO2 |
Methacrylic Acid, Spectrum™ Chemical
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CAS: 79-41-4
| CAS | 79-41-4 |
|---|
1-Cyclopropyl-1H-pyrazole-4-boronic acid pinacol ester, 97%
CAS: 1151802-22-0 Molecular Formula: C12H19BN2O2 Molecular Weight (g/mol): 234.106 MDL Number: MFCD16659007 InChI Key: NLWYVKHISUTBMY-UHFFFAOYSA-N Synonym: 1-cyclopropyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-cyclopropyl-1h-pyrazole-4-boronic acid pinacol ester,1-cyclopropyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-cyclopropyl-4-4,4,5,5-tetramethyl-1,3,2-di...,1-cyclopropyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole,1-cyclopropyl-4-pinacolylboronate-pyrazole,1-cyclopropy-1-yl-boronic acid pinacol ester,1-cyclopropyl 1h-pyrazole-4-boronic acid pinacol ester,1h-pyrazole,1-cyclopropyl-4-4,4,5,5-tetramethyl-1,1-cyclopropyl-1h-pyrazol-4-yl boronic acid pinacol ester PubChem CID: 59327133 IUPAC Name: 1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CC3
| PubChem CID | 59327133 |
|---|---|
| CAS | 1151802-22-0 |
| Molecular Weight (g/mol) | 234.106 |
| MDL Number | MFCD16659007 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CC3 |
| Synonym | 1-cyclopropyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-cyclopropyl-1h-pyrazole-4-boronic acid pinacol ester,1-cyclopropyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1-cyclopropyl-4-4,4,5,5-tetramethyl-1,3,2-di...,1-cyclopropyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazole,1-cyclopropyl-4-pinacolylboronate-pyrazole,1-cyclopropy-1-yl-boronic acid pinacol ester,1-cyclopropyl 1h-pyrazole-4-boronic acid pinacol ester,1h-pyrazole,1-cyclopropyl-4-4,4,5,5-tetramethyl-1,1-cyclopropyl-1h-pyrazol-4-yl boronic acid pinacol ester |
| IUPAC Name | 1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
| InChI Key | NLWYVKHISUTBMY-UHFFFAOYSA-N |
| Molecular Formula | C12H19BN2O2 |
Thermo Scientific Chemicals Diphenylamine-4-sulfonic acid, sodium salt, pure, redox-indicator grade
CAS: 6152-67-6 Molecular Formula: C12H11NNaO3S Molecular Weight (g/mol): 272.27 MDL Number: MFCD00036468 InChI Key: VMVSDVIYIMNZBS-UHFFFAOYSA-N Synonym: sodium 4-phenylamino benzenesulfonate,sodium diphenylamine-4-sulfonate,benzenesulfonic acid, 4-phenylamino-, monosodium salt,unii-3e2ux1382o,sodium 4-anilinobenzenesulfonate,diphenylamine-4-sulfonic acid sodium salt,sodium diphenylamine-p-sulfonate,n-phenylsulfanilic acid, sodium salt,4-phenylamino benzenesulfonic acid sodium salt,diphenylaminesulfonic acid sodium salt PubChem CID: 517002 SMILES: [Na].OS(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1
| PubChem CID | 517002 |
|---|---|
| CAS | 6152-67-6 |
| Molecular Weight (g/mol) | 272.27 |
| MDL Number | MFCD00036468 |
| SMILES | [Na].OS(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1 |
| Synonym | sodium 4-phenylamino benzenesulfonate,sodium diphenylamine-4-sulfonate,benzenesulfonic acid, 4-phenylamino-, monosodium salt,unii-3e2ux1382o,sodium 4-anilinobenzenesulfonate,diphenylamine-4-sulfonic acid sodium salt,sodium diphenylamine-p-sulfonate,n-phenylsulfanilic acid, sodium salt,4-phenylamino benzenesulfonic acid sodium salt,diphenylaminesulfonic acid sodium salt |
| InChI Key | VMVSDVIYIMNZBS-UHFFFAOYSA-N |
| Molecular Formula | C12H11NNaO3S |
2,6-Dichlorobenzeneboronic acid, 95%, Thermo Scientific Chemicals
CAS: 73852-17-2 Molecular Formula: C6H5BCl2O2 Molecular Weight (g/mol): 190.81 MDL Number: MFCD00064869 InChI Key: CXDPUSMFYPQXCV-UHFFFAOYSA-N Synonym: 2,6-dichlorobenzeneboronic acid,2,6-dichlorophenyl boronic acid,2,6-dichlorophenylboronicacid,2,6-dichlorophenyl boranediol,boronic acid, 2,6-dichlorophenyl,pubchem7938,acmc-1bc3m,ksc489k8l,2,6-dichloro-phenylboronic acid PubChem CID: 2734332 IUPAC Name: (2,6-dichlorophenyl)boronic acid SMILES: OB(O)C1=C(Cl)C=CC=C1Cl
| PubChem CID | 2734332 |
|---|---|
| CAS | 73852-17-2 |
| Molecular Weight (g/mol) | 190.81 |
| MDL Number | MFCD00064869 |
| SMILES | OB(O)C1=C(Cl)C=CC=C1Cl |
| Synonym | 2,6-dichlorobenzeneboronic acid,2,6-dichlorophenyl boronic acid,2,6-dichlorophenylboronicacid,2,6-dichlorophenyl boranediol,boronic acid, 2,6-dichlorophenyl,pubchem7938,acmc-1bc3m,ksc489k8l,2,6-dichloro-phenylboronic acid |
| IUPAC Name | (2,6-dichlorophenyl)boronic acid |
| InChI Key | CXDPUSMFYPQXCV-UHFFFAOYSA-N |
| Molecular Formula | C6H5BCl2O2 |
Triethyl 1,3,5-benzenetricarboxylate, 97%
CAS: 4105-92-4 Molecular Formula: C15H18O6 Molecular Weight (g/mol): 294.303 MDL Number: MFCD00236389 InChI Key: KXGOWZRHSOJOLF-UHFFFAOYSA-N Synonym: triethyl trimesate,1,3,5-benzenetricarboxylic acid, triethyl ester,trimesic acid triethyl ester,triethyl 1,3,5-benzenetricarboxylate,ethyl 3,5-bis ethoxycarbonyl benzoate,1,3,5-triethyl benzene-1,3,5-tricarboxylate,acmc-20a6fr,bzta02,1,3,5-tri ethoxycarbonyl benzene,triethyl 1,5-benzenetricarboxylate PubChem CID: 226764 IUPAC Name: triethyl benzene-1,3,5-tricarboxylate SMILES: CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC)C(=O)OCC
| PubChem CID | 226764 |
|---|---|
| CAS | 4105-92-4 |
| Molecular Weight (g/mol) | 294.303 |
| MDL Number | MFCD00236389 |
| SMILES | CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC)C(=O)OCC |
| Synonym | triethyl trimesate,1,3,5-benzenetricarboxylic acid, triethyl ester,trimesic acid triethyl ester,triethyl 1,3,5-benzenetricarboxylate,ethyl 3,5-bis ethoxycarbonyl benzoate,1,3,5-triethyl benzene-1,3,5-tricarboxylate,acmc-20a6fr,bzta02,1,3,5-tri ethoxycarbonyl benzene,triethyl 1,5-benzenetricarboxylate |
| IUPAC Name | triethyl benzene-1,3,5-tricarboxylate |
| InChI Key | KXGOWZRHSOJOLF-UHFFFAOYSA-N |
| Molecular Formula | C15H18O6 |
Urea, Ultra Pure, ≥99%, MP Biomedicals
CAS: 57-13-6 Molecular Formula: CH4N2O Molecular Weight (g/mol): 60.056 MDL Number: MFCD00008022 InChI Key: XSQUKJJJFZCRTK-UHFFFAOYSA-N Synonym: carbamide,isourea,carbonyldiamide,ureophil,carbonyldiamine,carbamimidic acid,pseudourea,ureaphil,urevert,alphadrate PubChem CID: 1176 ChEBI: CHEBI:48376 IUPAC Name: urea SMILES: C(=O)(N)N
| PubChem CID | 1176 |
|---|---|
| CAS | 57-13-6 |
| Molecular Weight (g/mol) | 60.056 |
| ChEBI | CHEBI:48376 |
| MDL Number | MFCD00008022 |
| SMILES | C(=O)(N)N |
| Synonym | carbamide,isourea,carbonyldiamide,ureophil,carbonyldiamine,carbamimidic acid,pseudourea,ureaphil,urevert,alphadrate |
| IUPAC Name | urea |
| InChI Key | XSQUKJJJFZCRTK-UHFFFAOYSA-N |
| Molecular Formula | CH4N2O |