Basic information
- Name:
1-Methyl-1H-pyrazole-4-carboxylic acid
- CAS No.:
5952-92-1
- Molecular Structure:
- Formula:
- C5H6N2O2-
- Molecular Weight:
- 126.11
- Synonyms:
- 1-methylpyrazole-4-carboxylic acid;1-methylpyrazole-4-carboxylate;
- Density:
- 1.349 g/cm3
- Melting Point:
- 203-208 °C
- Boiling Point:
- 306.886 °C at 760 mmHg
- Flash Point:
- 139.4 °C
- Hazard Symbols:
Xi
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Chemistry
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IUPAC Name: 1-Methylpyrazole-4-carboxylic acid
Molecular Formula: C5H6N2O2
Molecular Weight: 126.11 g/mol
Canonical SMILES: CN1C=C(C=N1)C(=O)O
InChI: InChI=1S/C5H6N2O2/c1-7-3-4(2-6-7)5(8)9/h2-3H,1H3,(H,8,9)
XLogP3-AA: -0.2
H-Bond Donor: 1
H-Bond Acceptor: 3
Index of Refraction: 1.59
Molar Refractivity: 31.56 cm3
Molar Volume: 93.4 cm3
Polarizability: 12.51×10-24 cm3
Surface Tension: 51.4 dyne/cm
Density: 1.34 g/cm3
Flash Point: 139.4 °C
Enthalpy of Vaporization: 57.8 kJ/mol
Boiling Point: 306.9 °C at 760 mmHg
Melting Point: 203-208 °C
Vapour Pressure of 1-Methyl-1H-pyrazole-4-carboxylic acid (CAS NO.5952-92-1): 0.000326 mmHg at 25 °C
Safety Profile
Hazard Codes: 
Xi
HazardClass of 1-Methyl-1H-pyrazole-4-carboxylic acid (CAS NO.5952-92-1): Irritant
Specification
1-Methyl-1H-pyrazole-4-carboxylic acid (CAS NO.5952-92-1), its Synonyms are 1-Methyl-4-pyrazolecarboxylic acid ; 1H-pyrazole-4-carboxylic acid, 1-methyl- .
