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Basic Information
CAS No.: 54367-66-7
Name: 5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid
Article Data: 4
Molecular Structure:
Molecular Structure of 54367-66-7 (5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid)
Formula: C5H5ClN2O2
Molecular Weight: 160.56
Synonyms: 5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid 95%;1H-pyrazole-4-carboxylic acid, 5-chloro-1-methyl-;
Density: 1.56 g/cm3
Melting Point: 197-198 ºC
Boiling Point: 315.8 ºC at 760 mmHg
Flash Point: 144.8 ºC
Hazard Symbols: IrritantXi
PSA: 55.12000
LogP: 0.77170
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Chemistry


Systematic Name: 5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid
Molecular Formula: C5H5ClN2O2
Molecular Weight: 160.56 g/mol
Canonical SMILES: O=C(O)c1cnn(c1Cl)C
InChI: InChI=1/C5H5ClN2O2/c1-8-4(6)3(2-7-8)5(9)10/h2H,1H3,(H,9,10)
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 44.12
Index of Refraction: 1.62
Molar Refractivity: 36.16 cm3
Molar Volume: 102.8 cm3
Polarizability: 14.33×10-24 cm3
Surface Tension: 54.2 dyne/cm
Density: 1.56 g/cm3
Flash Point: 144.8 °C
Enthalpy of Vaporization: 58.82 kJ/mol
Boiling Point: 315.8 °C at 760 mmHg
Melting Point: 197-198 °C
Vapour Pressure of 5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid (CAS NO.54367-66-7): 0.00018 mmHg at 25 °C

Safety Profile

Hazard Codes: IrritantXi
Hazard Note of 5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid (CAS NO.54367-66-7): Irritant 

Specification

 5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid (CAS NO.54367-66-7), its Synonyms are 5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid 95% ; 1H-pyrazole-4-carboxylic acid, 5-chloro-1-methyl- .