Organic acids and derivatives
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3-Hydroxy-2,2,4-trimethylpentyl Isobutyrate 60.0+%, TCI America™
CAS: 25265-77-4 Molecular Formula: C12H24O3 Molecular Weight (g/mol): 216.321 MDL Number: MFCD00148967 InChI Key: DAFHKNAQFPVRKR-UHFFFAOYSA-N Synonym: texanol,2,2,4-trimethyl-1,3-pentanediol monoisobutyrate,chissocizer cs 12,propanoic acid, 2-methyl-, 3-hydroxy-2,2,4-trimethylpentyl ester,2,2,4-trimethylpentane-1,3-diol monoisobutyrate,3-hydroxy-2,2,4-trimethylpentyl isobutyrate,ccris 8966,isobutyraldehyde tishchenko trimer,propanoic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol,2,2,4-trimethyl-1,3-pentanediolmono 2-methylpropanoate PubChem CID: 6490 IUPAC Name: (3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate SMILES: CC(C)C(C(C)(C)COC(=O)C(C)C)O
| PubChem CID | 6490 |
|---|---|
| CAS | 25265-77-4 |
| Molecular Weight (g/mol) | 216.321 |
| MDL Number | MFCD00148967 |
| SMILES | CC(C)C(C(C)(C)COC(=O)C(C)C)O |
| Synonym | texanol,2,2,4-trimethyl-1,3-pentanediol monoisobutyrate,chissocizer cs 12,propanoic acid, 2-methyl-, 3-hydroxy-2,2,4-trimethylpentyl ester,2,2,4-trimethylpentane-1,3-diol monoisobutyrate,3-hydroxy-2,2,4-trimethylpentyl isobutyrate,ccris 8966,isobutyraldehyde tishchenko trimer,propanoic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol,2,2,4-trimethyl-1,3-pentanediolmono 2-methylpropanoate |
| IUPAC Name | (3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate |
| InChI Key | DAFHKNAQFPVRKR-UHFFFAOYSA-N |
| Molecular Formula | C12H24O3 |
N-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl)acetamide 98.0+%, TCI America™
CAS: 848133-76-6 Molecular Formula: C14H12ClN3O2 Molecular Weight (g/mol): 289.72 MDL Number: MFCD09263704 InChI Key: XDXGFTCQRAQEEG-UHFFFAOYSA-N PubChem CID: 11358234 IUPAC Name: N-(4-chloro-3-cyano-7-ethoxyquinolin-6-yl)acetamide SMILES: CCOC1=C(NC(C)=O)C=C2C(Cl)=C(C=NC2=C1)C#N
| PubChem CID | 11358234 |
|---|---|
| CAS | 848133-76-6 |
| Molecular Weight (g/mol) | 289.72 |
| MDL Number | MFCD09263704 |
| SMILES | CCOC1=C(NC(C)=O)C=C2C(Cl)=C(C=NC2=C1)C#N |
| IUPAC Name | N-(4-chloro-3-cyano-7-ethoxyquinolin-6-yl)acetamide |
| InChI Key | XDXGFTCQRAQEEG-UHFFFAOYSA-N |
| Molecular Formula | C14H12ClN3O2 |
Phenyl Phosphate 99.0+%, TCI America™
CAS: 701-64-4 Molecular Formula: C6H5Na2O4P Molecular Weight (g/mol): 218.06 MDL Number: MFCD00058970 InChI Key: TYJOJLOWRIQYQM-UHFFFAOYSA-L Synonym: Phosphoric Acid Phenyl Ester, Dihydrogen Phenyl Phosphate PubChem CID: 12793 ChEBI: CHEBI:37548 IUPAC Name: disodium phenyl phosphate SMILES: [Na+].[Na+].[O-]P([O-])(=O)OC1=CC=CC=C1
| PubChem CID | 12793 |
|---|---|
| CAS | 701-64-4 |
| Molecular Weight (g/mol) | 218.06 |
| ChEBI | CHEBI:37548 |
| MDL Number | MFCD00058970 |
| SMILES | [Na+].[Na+].[O-]P([O-])(=O)OC1=CC=CC=C1 |
| Synonym | Phosphoric Acid Phenyl Ester, Dihydrogen Phenyl Phosphate |
| IUPAC Name | disodium phenyl phosphate |
| InChI Key | TYJOJLOWRIQYQM-UHFFFAOYSA-L |
| Molecular Formula | C6H5Na2O4P |
3-Nitrophenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 13331-27-6 Molecular Formula: C6H6BNO4 Molecular Weight (g/mol): 166.93 MDL Number: MFCD00007193 InChI Key: ZNRGSYUVFVNSAW-UHFFFAOYSA-N PubChem CID: 1677 IUPAC Name: (3-nitrophenyl)boronic acid SMILES: OB(O)C1=CC=CC(=C1)[N+]([O-])=O
| PubChem CID | 1677 |
|---|---|
| CAS | 13331-27-6 |
| Molecular Weight (g/mol) | 166.93 |
| MDL Number | MFCD00007193 |
| SMILES | OB(O)C1=CC=CC(=C1)[N+]([O-])=O |
| IUPAC Name | (3-nitrophenyl)boronic acid |
| InChI Key | ZNRGSYUVFVNSAW-UHFFFAOYSA-N |
| Molecular Formula | C6H6BNO4 |
Pyridinium Trifluoromethanesulfonate 98.0+%, TCI America™
CAS: 52193-54-1 Molecular Formula: C6H6F3NO3S Synonym: pyridinium trifluoromethanesulfonate,pyridinium triflate,pyridin-1-ium trifluoromethanesulfonate,pyridium triflate,acmc-209ky5,pyridinium trifluoromethanesulphonate,pyridin-1-ium; trifluoromethanesulfonate
| CAS | 52193-54-1 |
|---|---|
| Synonym | pyridinium trifluoromethanesulfonate,pyridinium triflate,pyridin-1-ium trifluoromethanesulfonate,pyridium triflate,acmc-209ky5,pyridinium trifluoromethanesulphonate,pyridin-1-ium; trifluoromethanesulfonate |
| Molecular Formula | C6H6F3NO3S |
Valeramide 98.0+%, TCI America™
CAS: 626-97-1 Molecular Formula: C5H11NO Molecular Weight (g/mol): 101.149 MDL Number: MFCD00041895 InChI Key: IPWFJLQDVFKJDU-UHFFFAOYSA-N Synonym: valeramide,n-valeramide,pentanimidic acid,unii-tkl9tn43qk,tkl9tn43qk,ksc353i5p,ipwfjlqdvfkjdu-uhfffaoysa,valeramide, pharmaceutical impurity standard PubChem CID: 12298 ChEBI: CHEBI:16459 IUPAC Name: pentanamide SMILES: CCCCC(=O)N
| PubChem CID | 12298 |
|---|---|
| CAS | 626-97-1 |
| Molecular Weight (g/mol) | 101.149 |
| ChEBI | CHEBI:16459 |
| MDL Number | MFCD00041895 |
| SMILES | CCCCC(=O)N |
| Synonym | valeramide,n-valeramide,pentanimidic acid,unii-tkl9tn43qk,tkl9tn43qk,ksc353i5p,ipwfjlqdvfkjdu-uhfffaoysa,valeramide, pharmaceutical impurity standard |
| IUPAC Name | pentanamide |
| InChI Key | IPWFJLQDVFKJDU-UHFFFAOYSA-N |
| Molecular Formula | C5H11NO |
Vinylene Carbonate (stabilized with BHT) 98.0+%, TCI America™
CAS: 872-36-6 Molecular Formula: C3H2O3 Molecular Weight (g/mol): 86.05 MDL Number: MFCD00005380 InChI Key: VAYTZRYEBVHVLE-UHFFFAOYSA-N Synonym: vinylene carbonate,vinyl carbonate,carbonic acid, cyclic vinylene ester,wln: t5ovoj,vinylenecarbonate,vinyleny carbonate,carbonic acid vinylene,1,3-dioxo-2-one,vinylene carbonate vc,acmc-209qj3 PubChem CID: 13385 IUPAC Name: 2H-1,3-dioxol-2-one SMILES: O=C1OC=CO1
| PubChem CID | 13385 |
|---|---|
| CAS | 872-36-6 |
| Molecular Weight (g/mol) | 86.05 |
| MDL Number | MFCD00005380 |
| SMILES | O=C1OC=CO1 |
| Synonym | vinylene carbonate,vinyl carbonate,carbonic acid, cyclic vinylene ester,wln: t5ovoj,vinylenecarbonate,vinyleny carbonate,carbonic acid vinylene,1,3-dioxo-2-one,vinylene carbonate vc,acmc-209qj3 |
| IUPAC Name | 2H-1,3-dioxol-2-one |
| InChI Key | VAYTZRYEBVHVLE-UHFFFAOYSA-N |
| Molecular Formula | C3H2O3 |
Methyl 3-Methylthiophene-2-carboxylate 97.0+%, TCI America™
CAS: 81452-54-2 Molecular Formula: C7H8O2S Molecular Weight (g/mol): 156.20 MDL Number: MFCD00234332 InChI Key: BRWROFVPMUPMJQ-UHFFFAOYSA-N Synonym: methyl 3-methyl-2-thiophenecarboxylate,3-methylthiophene-2-carboxylic acid methyl ester,3-methyl-thiophene-2-carboxylic acid methyl ester,2-thiophenecarboxylic acid, 3-methyl-, methyl ester,methyl 3-methyl-thiophene-2-carboxylate,d methyl ester,3-methyl-thiophene-2-carboxylic acid,pubchem10098,pubchem22915,ksc495k9b PubChem CID: 580757 IUPAC Name: methyl 3-methylthiophene-2-carboxylate SMILES: COC(=O)C1=C(C)C=CS1
| PubChem CID | 580757 |
|---|---|
| CAS | 81452-54-2 |
| Molecular Weight (g/mol) | 156.20 |
| MDL Number | MFCD00234332 |
| SMILES | COC(=O)C1=C(C)C=CS1 |
| Synonym | methyl 3-methyl-2-thiophenecarboxylate,3-methylthiophene-2-carboxylic acid methyl ester,3-methyl-thiophene-2-carboxylic acid methyl ester,2-thiophenecarboxylic acid, 3-methyl-, methyl ester,methyl 3-methyl-thiophene-2-carboxylate,d methyl ester,3-methyl-thiophene-2-carboxylic acid,pubchem10098,pubchem22915,ksc495k9b |
| IUPAC Name | methyl 3-methylthiophene-2-carboxylate |
| InChI Key | BRWROFVPMUPMJQ-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2S |
gamma-Crotonolactone 93.0+%, TCI America™
CAS: 497-23-4 Molecular Formula: C4H4O2 Molecular Weight (g/mol): 84.07 MDL Number: MFCD00005376 InChI Key: VIHAEDVKXSOUAT-UHFFFAOYSA-N Synonym: 2 5h-furanone,furan-2 5h-one,butenolide,2-butenolide,gamma-crotonolactone,2-buten-4-olide,isocrotonolactone,2-oxo-2,5-dihydrofuran,crotonolactone,2-5h-furanone PubChem CID: 10341 ChEBI: CHEBI:38118 IUPAC Name: 2,5-dihydrofuran-2-one SMILES: O=C1OCC=C1
| PubChem CID | 10341 |
|---|---|
| CAS | 497-23-4 |
| Molecular Weight (g/mol) | 84.07 |
| ChEBI | CHEBI:38118 |
| MDL Number | MFCD00005376 |
| SMILES | O=C1OCC=C1 |
| Synonym | 2 5h-furanone,furan-2 5h-one,butenolide,2-butenolide,gamma-crotonolactone,2-buten-4-olide,isocrotonolactone,2-oxo-2,5-dihydrofuran,crotonolactone,2-5h-furanone |
| IUPAC Name | 2,5-dihydrofuran-2-one |
| InChI Key | VIHAEDVKXSOUAT-UHFFFAOYSA-N |
| Molecular Formula | C4H4O2 |
Ethyl Methyl Carbonate 98.0+%, TCI America™
CAS: 623-53-0 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.105 MDL Number: MFCD00191398 InChI Key: JBTWLSYIZRCDFO-UHFFFAOYSA-N Synonym: Carbonic Acid Ethyl Methyl Ester PubChem CID: 522046 IUPAC Name: ethyl methyl carbonate SMILES: CCOC(=O)OC
| PubChem CID | 522046 |
|---|---|
| CAS | 623-53-0 |
| Molecular Weight (g/mol) | 104.105 |
| MDL Number | MFCD00191398 |
| SMILES | CCOC(=O)OC |
| Synonym | Carbonic Acid Ethyl Methyl Ester |
| IUPAC Name | ethyl methyl carbonate |
| InChI Key | JBTWLSYIZRCDFO-UHFFFAOYSA-N |
| Molecular Formula | C4H8O3 |
3-Cyclopentene-1-carboxylic Acid 97.0+%, TCI America™
CAS: 7686-77-3 Molecular Formula: C6H8O2 Molecular Weight (g/mol): 112.128 MDL Number: MFCD00101764 InChI Key: XVSYDLITVYBCBD-UHFFFAOYSA-N Synonym: 3-cyclopentene-1-carboxylic acid,cyclopent-3-enecarboxylic acid,3-cyclopentenecarboxylic acid,3-cyclopentene-1-carhoxylic acid,cyclopent-3-ene carboxylic acid,cyclopentene-3-carboxylic acid,ghl.pd_mitscher_leg0.243,3-cyclopentene-1-carboxylicacid,acmc-1bh22,ksc377a8b PubChem CID: 853756 IUPAC Name: cyclopent-3-ene-1-carboxylic acid SMILES: C1C=CCC1C(=O)O
| PubChem CID | 853756 |
|---|---|
| CAS | 7686-77-3 |
| Molecular Weight (g/mol) | 112.128 |
| MDL Number | MFCD00101764 |
| SMILES | C1C=CCC1C(=O)O |
| Synonym | 3-cyclopentene-1-carboxylic acid,cyclopent-3-enecarboxylic acid,3-cyclopentenecarboxylic acid,3-cyclopentene-1-carhoxylic acid,cyclopent-3-ene carboxylic acid,cyclopentene-3-carboxylic acid,ghl.pd_mitscher_leg0.243,3-cyclopentene-1-carboxylicacid,acmc-1bh22,ksc377a8b |
| IUPAC Name | cyclopent-3-ene-1-carboxylic acid |
| InChI Key | XVSYDLITVYBCBD-UHFFFAOYSA-N |
| Molecular Formula | C6H8O2 |
Potassium 4-Nitrophenyl Sulfate 98.0+%, TCI America™
CAS: 6217-68-1 Molecular Formula: C6H4KNO6S Molecular Weight (g/mol): 257.26 MDL Number: MFCD00007466 InChI Key: BITVAZYUWRLLCN-UHFFFAOYSA-M Synonym: potassium 4-nitrophenyl sulfate,potassium 4-nitrophenyl sulphate,4-nitrophenyl sulfate potassium salt,potassium p-nitrophenyl sulfate,sulfuric acid, mono 4-nitrophenyl ester, potassium salt,sulfuric acid, mono 4-nitrophenyl ester, potassium salt 1:1,p-nitrophenyl sulfate potassium salt,potassium p-nitrophenyl sulphate,phenol, p-nitro-, hydrogen sulfate ester , potassium salt PubChem CID: 80348 IUPAC Name: potassium 4-nitrophenyl sulfate SMILES: [K+].[O-][N+](=O)C1=CC=C(OS([O-])(=O)=O)C=C1
| PubChem CID | 80348 |
|---|---|
| CAS | 6217-68-1 |
| Molecular Weight (g/mol) | 257.26 |
| MDL Number | MFCD00007466 |
| SMILES | [K+].[O-][N+](=O)C1=CC=C(OS([O-])(=O)=O)C=C1 |
| Synonym | potassium 4-nitrophenyl sulfate,potassium 4-nitrophenyl sulphate,4-nitrophenyl sulfate potassium salt,potassium p-nitrophenyl sulfate,sulfuric acid, mono 4-nitrophenyl ester, potassium salt,sulfuric acid, mono 4-nitrophenyl ester, potassium salt 1:1,p-nitrophenyl sulfate potassium salt,potassium p-nitrophenyl sulphate,phenol, p-nitro-, hydrogen sulfate ester , potassium salt |
| IUPAC Name | potassium 4-nitrophenyl sulfate |
| InChI Key | BITVAZYUWRLLCN-UHFFFAOYSA-M |
| Molecular Formula | C6H4KNO6S |
Difluoroacetic Anhydride 98.0+%, TCI America™
CAS: 401-67-2 Molecular Formula: C4H2F4O3 Molecular Weight (g/mol): 174.051 MDL Number: MFCD02093315 InChI Key: IYXUFOCLMOXQSL-UHFFFAOYSA-N PubChem CID: 2774048 IUPAC Name: (2,2-difluoroacetyl) 2,2-difluoroacetate SMILES: C(C(=O)OC(=O)C(F)F)(F)F
| PubChem CID | 2774048 |
|---|---|
| CAS | 401-67-2 |
| Molecular Weight (g/mol) | 174.051 |
| MDL Number | MFCD02093315 |
| SMILES | C(C(=O)OC(=O)C(F)F)(F)F |
| IUPAC Name | (2,2-difluoroacetyl) 2,2-difluoroacetate |
| InChI Key | IYXUFOCLMOXQSL-UHFFFAOYSA-N |
| Molecular Formula | C4H2F4O3 |
2,3-Dibromopropionic Acid 97.0+%, TCI America™
CAS: 600-05-5 Molecular Formula: C3H4Br2O2 Molecular Weight (g/mol): 231.87 MDL Number: MFCD00004212 InChI Key: ZMYAKSMZTVWUJB-UHFFFAOYNA-N Synonym: 2,3-dibromopropionic acid,propanoic acid, 2,3-dibromo,alpha,beta-dibromopropionic acid,propionic acid, 2,3-dibromo,.alpha.,.beta.-dibromopropionic acid,acmc-209mhg,propanoic acid,3-dibromo,propionic acid,3-dibromo,2,3-dibromo-propionic acid,dsstox_cid_12832 PubChem CID: 11746 IUPAC Name: 2,3-dibromopropanoic acid SMILES: OC(=O)C(Br)CBr
| PubChem CID | 11746 |
|---|---|
| CAS | 600-05-5 |
| Molecular Weight (g/mol) | 231.87 |
| MDL Number | MFCD00004212 |
| SMILES | OC(=O)C(Br)CBr |
| Synonym | 2,3-dibromopropionic acid,propanoic acid, 2,3-dibromo,alpha,beta-dibromopropionic acid,propionic acid, 2,3-dibromo,.alpha.,.beta.-dibromopropionic acid,acmc-209mhg,propanoic acid,3-dibromo,propionic acid,3-dibromo,2,3-dibromo-propionic acid,dsstox_cid_12832 |
| IUPAC Name | 2,3-dibromopropanoic acid |
| InChI Key | ZMYAKSMZTVWUJB-UHFFFAOYNA-N |
| Molecular Formula | C3H4Br2O2 |
4,4'-Diantipyrylmethane Monohydrate 98.0+%, TCI America™
CAS: 1251-85-0 Molecular Formula: C23H24N4O2 Molecular Weight (g/mol): 388.471 MDL Number: MFCD00149122 InChI Key: QATHNKNPUVVKHK-UHFFFAOYSA-N Synonym: diantipyrylmethane,4,4'-methylenediantipyrine,bisantipyrylmethane,diantipyrinylmethane,4,4'-methylenebis 1,5-dimethyl-2-phenyl-1h-pyrazol-3 2h-one,4,4'-diantipyrylmethane,antipyrine, 4,4'-methylenedi,3h-pyrazol-3-one, 4,4'-methylenebis 1,2-dihydro-1,5-dimethyl-2-phenyl,4-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl methyl-1,5-dimethyl-2-phenyl-2,3-dihydro-1h-pyrazol-3-one,4-1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl methyl-1,5-dimethyl-2-phenylpyrazol-3-one PubChem CID: 96229 IUPAC Name: 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CC3=C(N(N(C3=O)C4=CC=CC=C4)C)C
| PubChem CID | 96229 |
|---|---|
| CAS | 1251-85-0 |
| Molecular Weight (g/mol) | 388.471 |
| MDL Number | MFCD00149122 |
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CC3=C(N(N(C3=O)C4=CC=CC=C4)C)C |
| Synonym | diantipyrylmethane,4,4'-methylenediantipyrine,bisantipyrylmethane,diantipyrinylmethane,4,4'-methylenebis 1,5-dimethyl-2-phenyl-1h-pyrazol-3 2h-one,4,4'-diantipyrylmethane,antipyrine, 4,4'-methylenedi,3h-pyrazol-3-one, 4,4'-methylenebis 1,2-dihydro-1,5-dimethyl-2-phenyl,4-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl methyl-1,5-dimethyl-2-phenyl-2,3-dihydro-1h-pyrazol-3-one,4-1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl methyl-1,5-dimethyl-2-phenylpyrazol-3-one |
| IUPAC Name | 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one |
| InChI Key | QATHNKNPUVVKHK-UHFFFAOYSA-N |
| Molecular Formula | C23H24N4O2 |