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Basic Information
CAS No.: 25016-20-0
Name: 1-Methyl-1H-pyrazole-3-carboxylic acid
Article Data: 3
Molecular Structure:
Molecular Structure of 25016-20-0 (1-Methyl-1H-pyrazole-3-carboxylic acid)
Formula: C5H6N2O2
Molecular Weight: 126.115
Synonyms: Pyrazole-3-carboxylicacid, 1-methyl- (8CI);1-Methylpyrazole-3-carboxylic acid;
Density: 1.34 g/cm3
Melting Point: 150-152 oC
Boiling Point: 306.9 °C at 760 mmHg
Flash Point: 139.4 °C
Hazard Symbols: HarmfulXn, IrritantXi
Risk Codes: 22-36/37/38
Safety: 22-26-36/37/39
PSA: 55.12000
LogP: 0.11830
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Chemistry


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

Safety Profile

Hazard Codes: IrritantXi,HarmfulXn
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

Specification

 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- .