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84547-85-3

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Basic Information
CAS No.: 84547-85-3
Name: 4-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid
Article Data: 4
Molecular Structure:
Molecular Structure of 84547-85-3 (4-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid)
Formula: C5H5 Cl N2 O2
Molecular Weight: 160.56
Synonyms: 4-Chloro-1-methyl-1H-pyrazole-3-carboxylicacid
Density: 1.56g/cm3
Melting Point: 219-221 °C(Solv: acetic acid (64-19-7))
Boiling Point: 327°C at 760 mmHg
Flash Point: 151.6°C
PSA: 55.12000
LogP: 0.77170
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Chemistry


IUPAC Name: 4-Chloro-1-methylpyrazole-3-carboxylic acid 
Empirical Formula: C5H5ClN2O2
Molecular Weight: 160.5584
Canonical SMILES: CN1C=C(C(=N1)C(=O)O)Cl
InChI: InChI=1S/C5H5ClN2O2/c1-8-2-3(6)4(7-8)5(9)10/h2H,1H3,(H,9,10)
InChIKey: BZFXEYAWDBWTSY-UHFFFAOYSA-N
XLogP3-AA: 0.7
H-Bond Donor: 1 
Index of Refraction: 1.62
Molar Refractivity: 36.16 cm3
Molar Volume: 102.8 cm3
Surface Tension: 54.2 dyne/cm
Density: 1.56 g/cm3
Flash Point: 151.6 °C
Enthalpy of Vaporization: 60.1 kJ/mol
Boiling Point: 327 °C at 760 mmHg
Vapour Pressure: 8.41E-05 mmHg at 25 °C
H-Bond Acceptor of 4-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid (CAS NO.84547-85-3): 3

Safety Profile

HazardClass of 4-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid (CAS NO.84547-85-3): IRRITANT

Specification

  4-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid (CAS NO.84547-85-3), its Synonyms are 1H-pyrazole-3-carboxylic acid, 4-chloro-1-methyl- ; 4-Chloro-1-methyl-pyrazole-3-carboxylic acid .