| Identification | More | [Name]
3-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID | [CAS]
40704-11-8 | [Synonyms]
Albb-005391
AKOS PAO-0300
CHEMBRDG-BB 4002205
3-METHYLPYRAZOLE-4-CARBOXYLIC ACID
3-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
3-Methyl-2H-pyrazole-4-carboxylic acid
3-Methylpyrazole-4-carboxylic acid 97%
1H-Pyrazole-4-carboxylic acid, 3-methyl-
3-Methyl-1h-pyrazole-4-carboxylic acid 97%
3-Methyl-1H-pyrazole-4-carboxylic acid
3-Methylpyrazole-4-carboxylic acid | [Molecular Formula]
C5H6N2O2 | [MDL Number]
MFCD00608153 | [Molecular Weight]
126.11 | [MOL File]
40704-11-8.mol |
| Chemical Properties | Back Directory | [Melting point ]
225-230 °C (dec.) (lit.) | [Boiling point ]
384.2±22.0 °C(Predicted) | [density ]
1.404±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C(protect from light) | [form ]
solid | [pka]
14.56±0.50(Predicted) | [Appearance]
Light yellow to brown Solid | [InChI]
InChI=1S/C5H6N2O2/c1-3-4(5(8)9)2-6-7-3/h2H,1H3,(H,6,7)(H,8,9) | [InChIKey]
HLYYXPDTFLUERX-UHFFFAOYSA-N | [SMILES]
N1C=C(C(O)=O)C(C)=N1 | [CAS DataBase Reference]
40704-11-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [WGK Germany ]
3
| [HazardClass ]
IRRITANT | [HS Code ]
2933199090 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Uses]
3-Methyl-1h-pyrazole-4-carboxylic Acid is a reactant used in the characterization of MOFs with crystal vacancies introduced by removing quarter of metal ions and half of linkers. | [Definition]
ChEBI: 3-methyl-pyrazole-4-carboxylic acid is a member of the class of pyrazoles that is 1H-pyrazole with methyl and carboxylic acid group substituents at positions 3 and 4 respectively. It has a role as a metabolite. It is a member of pyrazoles and a monocarboxylic acid. It derives from a hydride of a 1H-pyrazole. |
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