IUPAC Name: 1-Methylpyrazole-3-carboxylic acid
Molecular Formula: C5H6N2O2
Molecular Weight: 126.11 g/mol
Canonical SMILES: CN1C=CC(=N1)C(=O)O
InChI: InChI=1S/C5H6N2O2/c1-7-3-2-4(6-7)5(8)9/h2-3H,1H3,(H,8,9)
Product Categories: Building Blocks; Pyrazole
XLogP3-AA: 0.1
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: 150-152 °C
Vapour Pressure of 1-Methyl-1H-pyrazole-3-carboxylic acid (CAS NO.25016-20-0): 0.000326 mmHg at 25 °C
Hazard Codes: Xi,Xn
Risk Statements: 22-36/37/38
R22: Harmful if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 22-26-36/37/39
S22: Do not breathe dust.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
HazardClass of 1-Methyl-1H-pyrazole-3-carboxylic acid (CAS NO.25016-20-0): IRRITANT
1-Methyl-1H-pyrazole-3-carboxylic acid (CAS NO.25016-20-0), its Synonyms are 1H-pyrazole-3-carboxylic acid, 1-methyl- ; N-Methylpyrazole-3-carboxylic acid ; Pyrazole-3-carboxylic acid, 1-methyl- .
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