Organic acids and derivatives
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2-(Trifluoromethoxy)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 175676-65-0 Molecular Formula: C7H6BF3O3 Molecular Weight (g/mol): 205.93 MDL Number: MFCD01320763 InChI Key: AIJCNTOYZPKURP-UHFFFAOYSA-N PubChem CID: 2777204 IUPAC Name: [2-(trifluoromethoxy)phenyl]boronic acid SMILES: OB(O)C1=CC=CC=C1OC(F)(F)F
| PubChem CID | 2777204 |
|---|---|
| CAS | 175676-65-0 |
| Molecular Weight (g/mol) | 205.93 |
| MDL Number | MFCD01320763 |
| SMILES | OB(O)C1=CC=CC=C1OC(F)(F)F |
| IUPAC Name | [2-(trifluoromethoxy)phenyl]boronic acid |
| InChI Key | AIJCNTOYZPKURP-UHFFFAOYSA-N |
| Molecular Formula | C7H6BF3O3 |
Benzoyleneurea 98.0+%, TCI America™
CAS: 86-96-4 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD00006699 InChI Key: SDQJTWBNWQABLE-UHFFFAOYSA-N Synonym: benzoyleneurea,quinazoline-2,4 1h,3h-dione,2,4 1h,3h-quinazolinedione,quinazoline-2,4-diol,2,4-dihydroxyquinazoline,quinazolinedione,benzouracil,quinazoline-2,4-dione,urea, benzoylene,1,2,3,4-tetrahydroquinazoline-2,4-dione PubChem CID: 64048 IUPAC Name: 1H-quinazoline-2,4-dione SMILES: C1=CC=C2C(=C1)C(=O)NC(=O)N2
| PubChem CID | 64048 |
|---|---|
| CAS | 86-96-4 |
| Molecular Weight (g/mol) | 162.148 |
| MDL Number | MFCD00006699 |
| SMILES | C1=CC=C2C(=C1)C(=O)NC(=O)N2 |
| Synonym | benzoyleneurea,quinazoline-2,4 1h,3h-dione,2,4 1h,3h-quinazolinedione,quinazoline-2,4-diol,2,4-dihydroxyquinazoline,quinazolinedione,benzouracil,quinazoline-2,4-dione,urea, benzoylene,1,2,3,4-tetrahydroquinazoline-2,4-dione |
| IUPAC Name | 1H-quinazoline-2,4-dione |
| InChI Key | SDQJTWBNWQABLE-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O2 |
Pyromellitic Acid 98.0+%, TCI America™
CAS: 89-05-4 Molecular Formula: C10H6O8 Molecular Weight (g/mol): 254.15 MDL Number: MFCD00002471 InChI Key: CYIDZMCFTVVTJO-UHFFFAOYSA-N Synonym: pyromellitic acid,1,2,4,5-benzenetetracarboxylic acid,usaf xr-20,1,2,4,5-tetracarboxybenzene,unii-d9uxg2u6zu,1,2,4,5-benzene-tetracarboxylic acid,d9uxg2u6zu,pubchem21809,acmc-20ap78,1,4,5-tetracarboxybenzene PubChem CID: 6961 ChEBI: CHEBI:45165 IUPAC Name: benzene-1,2,4,5-tetracarboxylic acid SMILES: C1=C(C(=CC(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O
| PubChem CID | 6961 |
|---|---|
| CAS | 89-05-4 |
| Molecular Weight (g/mol) | 254.15 |
| ChEBI | CHEBI:45165 |
| MDL Number | MFCD00002471 |
| SMILES | C1=C(C(=CC(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O |
| Synonym | pyromellitic acid,1,2,4,5-benzenetetracarboxylic acid,usaf xr-20,1,2,4,5-tetracarboxybenzene,unii-d9uxg2u6zu,1,2,4,5-benzene-tetracarboxylic acid,d9uxg2u6zu,pubchem21809,acmc-20ap78,1,4,5-tetracarboxybenzene |
| IUPAC Name | benzene-1,2,4,5-tetracarboxylic acid |
| InChI Key | CYIDZMCFTVVTJO-UHFFFAOYSA-N |
| Molecular Formula | C10H6O8 |
5-Cyano-1H-imidazole-4-carboxamide Hydrate 95.0+%, TCI America™
CAS: 5372-23-6 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00129664 InChI Key: QBKYWNHLILCGEI-UHFFFAOYSA-N Synonym: 5-cyano-1h-imidazole-4-carboxamide,4-cyano-5-imidazolecarboxamide,5-cyano-3h-imidazole-4-carboxamide,1h-imidazole-4-carboxamide, 5-cyano,4-cyanoimidazole-5-carboxamide,acmc-20amkb,5-cyanoimidazole-4-carboxamide,1h-imidazole-5-carboxamide,4-cyano,5-cyano-1h-imidazole-4-carboxamidehydrate,1h-imidazole-4-carboxamide, 5-cyano-9ci PubChem CID: 270862 IUPAC Name: 4-cyano-1H-imidazole-5-carboxamide SMILES: NC(=O)C1=C(N=CN1)C#N
| PubChem CID | 270862 |
|---|---|
| CAS | 5372-23-6 |
| Molecular Weight (g/mol) | 136.11 |
| MDL Number | MFCD00129664 |
| SMILES | NC(=O)C1=C(N=CN1)C#N |
| Synonym | 5-cyano-1h-imidazole-4-carboxamide,4-cyano-5-imidazolecarboxamide,5-cyano-3h-imidazole-4-carboxamide,1h-imidazole-4-carboxamide, 5-cyano,4-cyanoimidazole-5-carboxamide,acmc-20amkb,5-cyanoimidazole-4-carboxamide,1h-imidazole-5-carboxamide,4-cyano,5-cyano-1h-imidazole-4-carboxamidehydrate,1h-imidazole-4-carboxamide, 5-cyano-9ci |
| IUPAC Name | 4-cyano-1H-imidazole-5-carboxamide |
| InChI Key | QBKYWNHLILCGEI-UHFFFAOYSA-N |
| Molecular Formula | C5H4N4O |
4-Acetamidocyclohexanone 98.0+%, TCI America™
CAS: 27514-08-5 Molecular Formula: C8H13NO2 Molecular Weight (g/mol): 155.197 MDL Number: MFCD03703462 InChI Key: WZEMYWNHKFIVKE-UHFFFAOYSA-N Synonym: n-4-oxocyclohexyl acetamide,4-acetamidocyclohexanone,4-acetamido-cyclohexanone,4-acetylamino cyclohexanone,4-n-acetylamino cyclohexanone,4-n-acetyl-amino-cyclohexanone,n-4-oxo-cyclohexyl-acetamide,acetamide, n-4-oxocyclohexyl,4-aminocyclohexanone, n-acetyl PubChem CID: 538565 IUPAC Name: N-(4-oxocyclohexyl)acetamide SMILES: CC(=O)NC1CCC(=O)CC1
| PubChem CID | 538565 |
|---|---|
| CAS | 27514-08-5 |
| Molecular Weight (g/mol) | 155.197 |
| MDL Number | MFCD03703462 |
| SMILES | CC(=O)NC1CCC(=O)CC1 |
| Synonym | n-4-oxocyclohexyl acetamide,4-acetamidocyclohexanone,4-acetamido-cyclohexanone,4-acetylamino cyclohexanone,4-n-acetylamino cyclohexanone,4-n-acetyl-amino-cyclohexanone,n-4-oxo-cyclohexyl-acetamide,acetamide, n-4-oxocyclohexyl,4-aminocyclohexanone, n-acetyl |
| IUPAC Name | N-(4-oxocyclohexyl)acetamide |
| InChI Key | WZEMYWNHKFIVKE-UHFFFAOYSA-N |
| Molecular Formula | C8H13NO2 |
3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoxazole 98.0+%, TCI America™
CAS: 832114-00-8 Molecular Formula: C11H18BNO3 Molecular Weight (g/mol): 223.079 MDL Number: MFCD05863910 InChI Key: CVLHETBAROWASE-UHFFFAOYSA-N Synonym: 3,5-dimethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl isoxazole,3,5-dimethylisoxazole-4-boronic acid pinacol ester,3,5-dimethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl isoxazole,3,5-dimethylisoxazole-4-boronic acid, pinacol ester,3,5-dimethyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl-1,2-oxazole,3,5-dimethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1,2-oxazole,3,5-dimethyl-4-isoxazolyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-3,5-dimethylisoxazol-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,pubchem18439,acmc-209prk PubChem CID: 2758656 IUPAC Name: 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(ON=C2C)C
| PubChem CID | 2758656 |
|---|---|
| CAS | 832114-00-8 |
| Molecular Weight (g/mol) | 223.079 |
| MDL Number | MFCD05863910 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=C(ON=C2C)C |
| Synonym | 3,5-dimethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl isoxazole,3,5-dimethylisoxazole-4-boronic acid pinacol ester,3,5-dimethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl isoxazole,3,5-dimethylisoxazole-4-boronic acid, pinacol ester,3,5-dimethyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl-1,2-oxazole,3,5-dimethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1,2-oxazole,3,5-dimethyl-4-isoxazolyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-3,5-dimethylisoxazol-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,pubchem18439,acmc-209prk |
| IUPAC Name | 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole |
| InChI Key | CVLHETBAROWASE-UHFFFAOYSA-N |
| Molecular Formula | C11H18BNO3 |
Pyrazole-3-carboxylic Acid 98.0+%, TCI America™
CAS: 1621-91-6 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.09 MDL Number: MFCD00077436 InChI Key: KOPFEFZSAMLEHK-UHFFFAOYSA-N Synonym: 1h-pyrazole-3-carboxylic acid,pyrazole-3-carboxylic acid,2h-pyrazole-3-carboxylic acid,5-pyrazolecarboxylic acid,3-pyrazolecarboxylic acid,3-carboxy-1h-pyrazole,pyrazolic acid,pyrazolecarboxylic,3-carboxypyrazole,2h-pyrazole-3-carboxylicacid PubChem CID: 574310 IUPAC Name: 1H-pyrazole-5-carboxylic acid SMILES: OC(=O)C1=CC=NN1
| PubChem CID | 574310 |
|---|---|
| CAS | 1621-91-6 |
| Molecular Weight (g/mol) | 112.09 |
| MDL Number | MFCD00077436 |
| SMILES | OC(=O)C1=CC=NN1 |
| Synonym | 1h-pyrazole-3-carboxylic acid,pyrazole-3-carboxylic acid,2h-pyrazole-3-carboxylic acid,5-pyrazolecarboxylic acid,3-pyrazolecarboxylic acid,3-carboxy-1h-pyrazole,pyrazolic acid,pyrazolecarboxylic,3-carboxypyrazole,2h-pyrazole-3-carboxylicacid |
| IUPAC Name | 1H-pyrazole-5-carboxylic acid |
| InChI Key | KOPFEFZSAMLEHK-UHFFFAOYSA-N |
| Molecular Formula | C4H4N2O2 |
2-Fluoroethyl p-Toluenesulfonate 98.0+%, TCI America™
CAS: 383-50-6 Molecular Formula: C9H11FO3S Molecular Weight (g/mol): 218.24 MDL Number: MFCD01658061 InChI Key: XNRDLSNSMTUXBV-UHFFFAOYSA-N Synonym: p-Toluenesulfonic Acid 2-Fluoroethyl Ester, 2-Fluoroethyl Tosylate PubChem CID: 256019 IUPAC Name: 2-fluoroethyl 4-methylbenzene-1-sulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCF
| PubChem CID | 256019 |
|---|---|
| CAS | 383-50-6 |
| Molecular Weight (g/mol) | 218.24 |
| MDL Number | MFCD01658061 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCF |
| Synonym | p-Toluenesulfonic Acid 2-Fluoroethyl Ester, 2-Fluoroethyl Tosylate |
| IUPAC Name | 2-fluoroethyl 4-methylbenzene-1-sulfonate |
| InChI Key | XNRDLSNSMTUXBV-UHFFFAOYSA-N |
| Molecular Formula | C9H11FO3S |
3,6-Diphenyl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione 98.0+%, TCI America™
CAS: 54660-00-3 Molecular Formula: C18H12N2O2 Molecular Weight (g/mol): 288.31 MDL Number: MFCD11870113 InChI Key: UWHBZLMSPZBZHY-UHFFFAOYSA-N Synonym: Pigment Red 255 PubChem CID: 5378296 IUPAC Name: 3,6-diphenyl-1H,2H,4H,5H-pyrrolo[3,4-c]pyrrole-1,4-dione SMILES: O=C1NC(=C2C(=O)NC(=C12)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 5378296 |
|---|---|
| CAS | 54660-00-3 |
| Molecular Weight (g/mol) | 288.31 |
| MDL Number | MFCD11870113 |
| SMILES | O=C1NC(=C2C(=O)NC(=C12)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | Pigment Red 255 |
| IUPAC Name | 3,6-diphenyl-1H,2H,4H,5H-pyrrolo[3,4-c]pyrrole-1,4-dione |
| InChI Key | UWHBZLMSPZBZHY-UHFFFAOYSA-N |
| Molecular Formula | C18H12N2O2 |
Diphenylammonium Trifluoromethanesulfonate 98.0+%, TCI America™
CAS: 164411-06-7 Molecular Formula: C13H12F3NO3S Molecular Weight (g/mol): 319.298 InChI Key: MGEGQAUINMTPGX-UHFFFAOYSA-N Synonym: DPAT PubChem CID: 11209371 IUPAC Name: diphenylazanium;trifluoromethanesulfonate SMILES: C1=CC=C(C=C1)[NH2+]C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]
| PubChem CID | 11209371 |
|---|---|
| CAS | 164411-06-7 |
| Molecular Weight (g/mol) | 319.298 |
| SMILES | C1=CC=C(C=C1)[NH2+]C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-] |
| Synonym | DPAT |
| IUPAC Name | diphenylazanium;trifluoromethanesulfonate |
| InChI Key | MGEGQAUINMTPGX-UHFFFAOYSA-N |
| Molecular Formula | C13H12F3NO3S |
3-(Acetylthio)propionic Acid 98.0+%, TCI America™
CAS: 41345-70-4 Molecular Formula: C5H8O3S Molecular Weight (g/mol): 148.176 MDL Number: MFCD06208418 InChI Key: AYQXANXXZYKTDL-UHFFFAOYSA-N Synonym: 3-(Acetylthio)propanoic Acid PubChem CID: 262719 IUPAC Name: 3-acetylsulfanylpropanoic acid SMILES: CC(=O)SCCC(=O)O
| PubChem CID | 262719 |
|---|---|
| CAS | 41345-70-4 |
| Molecular Weight (g/mol) | 148.176 |
| MDL Number | MFCD06208418 |
| SMILES | CC(=O)SCCC(=O)O |
| Synonym | 3-(Acetylthio)propanoic Acid |
| IUPAC Name | 3-acetylsulfanylpropanoic acid |
| InChI Key | AYQXANXXZYKTDL-UHFFFAOYSA-N |
| Molecular Formula | C5H8O3S |
5,5-Dimethyl-2,4-oxazolidinedione 99.0+%, TCI America™
CAS: 695-53-4 Molecular Formula: C5H7NO3 Molecular Weight (g/mol): 129.12 MDL Number: MFCD00005379 InChI Key: JYJFNDQBESEHJQ-UHFFFAOYSA-N Synonym: dimethadione,5,5-dimethyloxazolidine-2,4-dione,5,5-dimethyl-2,4-oxazolidinedione,propazone,dimethadion,eupractone,dimethyloxazolidinedione,2,4-oxazolidinedione, 5,5-dimethyl,5,5-dimethyloxazolidinedione,dimetadione dcit PubChem CID: 3081 IUPAC Name: 5,5-dimethyl-1,3-oxazolidine-2,4-dione SMILES: CC1(C)OC(=O)NC1=O
| PubChem CID | 3081 |
|---|---|
| CAS | 695-53-4 |
| Molecular Weight (g/mol) | 129.12 |
| MDL Number | MFCD00005379 |
| SMILES | CC1(C)OC(=O)NC1=O |
| Synonym | dimethadione,5,5-dimethyloxazolidine-2,4-dione,5,5-dimethyl-2,4-oxazolidinedione,propazone,dimethadion,eupractone,dimethyloxazolidinedione,2,4-oxazolidinedione, 5,5-dimethyl,5,5-dimethyloxazolidinedione,dimetadione dcit |
| IUPAC Name | 5,5-dimethyl-1,3-oxazolidine-2,4-dione |
| InChI Key | JYJFNDQBESEHJQ-UHFFFAOYSA-N |
| Molecular Formula | C5H7NO3 |
2-Chloroethylurea 98.0+%, TCI America™
CAS: 6296-42-0 Molecular Formula: C3H7ClN2O Molecular Weight (g/mol): 122.552 MDL Number: MFCD00059861 InChI Key: BITBMHVXCILUEX-UHFFFAOYSA-N PubChem CID: 240817 IUPAC Name: 2-chloroethylurea SMILES: C(CCl)NC(=O)N
| PubChem CID | 240817 |
|---|---|
| CAS | 6296-42-0 |
| Molecular Weight (g/mol) | 122.552 |
| MDL Number | MFCD00059861 |
| SMILES | C(CCl)NC(=O)N |
| IUPAC Name | 2-chloroethylurea |
| InChI Key | BITBMHVXCILUEX-UHFFFAOYSA-N |
| Molecular Formula | C3H7ClN2O |
3-Cyanophenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 150255-96-2 Molecular Formula: C7H6BNO2 Molecular Weight (g/mol): 146.94 MDL Number: MFCD01318967 InChI Key: XDBHWPLGGBLUHH-UHFFFAOYSA-N PubChem CID: 2734325 IUPAC Name: (3-cyanophenyl)boronic acid SMILES: OB(O)C1=CC=CC(=C1)C#N
| PubChem CID | 2734325 |
|---|---|
| CAS | 150255-96-2 |
| Molecular Weight (g/mol) | 146.94 |
| MDL Number | MFCD01318967 |
| SMILES | OB(O)C1=CC=CC(=C1)C#N |
| IUPAC Name | (3-cyanophenyl)boronic acid |
| InChI Key | XDBHWPLGGBLUHH-UHFFFAOYSA-N |
| Molecular Formula | C7H6BNO2 |
alpha-Bromophenylacetic Acid 98.0+%, TCI America™
CAS: 4870-65-9 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00004206 InChI Key: WAKFRZBXTKUFIW-UHFFFAOYSA-N Synonym: alpha-bromophenylacetic acid,bromo phenyl acetic acid,.alpha.-bromophenylacetic acid,bromophenylacetic acid,bromo-phenyl-acetic acid,bromo-phenylacetic acid,dl-.alpha.-bromophenylacetic acid,benzeneacetic acid, .alpha.-bromo,phenylbromoacetic acid,bromo phenyl aceticacid PubChem CID: 97919 IUPAC Name: 2-bromo-2-phenylacetic acid SMILES: C1=CC=C(C=C1)C(C(=O)O)Br
| PubChem CID | 97919 |
|---|---|
| CAS | 4870-65-9 |
| Molecular Weight (g/mol) | 215.046 |
| MDL Number | MFCD00004206 |
| SMILES | C1=CC=C(C=C1)C(C(=O)O)Br |
| Synonym | alpha-bromophenylacetic acid,bromo phenyl acetic acid,.alpha.-bromophenylacetic acid,bromophenylacetic acid,bromo-phenyl-acetic acid,bromo-phenylacetic acid,dl-.alpha.-bromophenylacetic acid,benzeneacetic acid, .alpha.-bromo,phenylbromoacetic acid,bromo phenyl aceticacid |
| IUPAC Name | 2-bromo-2-phenylacetic acid |
| InChI Key | WAKFRZBXTKUFIW-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |