Molecular Structure of 1,5-Dimethyl-1H-pyrazole (CAS NO.694-31-5):
IUPAC Name: 1,5-Dimethylpyrazole
Canonical SMILES: CC1=CC=NN1C
InChI: InChI=1S/C5H8N2/c1-5-3-4-6-7(5)2/h3-4H,1-2H3
InChIKey: LSZQMSSIUQNTDX-UHFFFAOYSA-N
Molecular Weight: 96.13042 [g/mol]
Molecular Formula: C5H8N2
XLogP3-AA: 0.6
H-Bond Donor: 0
H-Bond Acceptor: 1
Index of Refraction: 1.518
Molar Refractivity: 29.67 cm3
Molar Volume: 97.7 cm3
Surface Tension: 31.3 dyne/cm
Density: 0.98 g/cm3
Flash Point: 38.6 °C
Enthalpy of Vaporization: 37.37 kJ/mol
Boiling Point: 153 °C at 760 mmHg
Vapour Pressure: 4.36 mmHg at 25 °C
Appearance: Colorless Clear Liquid
Product Categories: Pyrazole
Safety Information of 1,5-Dimethyl-1H-pyrazole (CAS NO.694-31-5):
Hazard Codes: Xi
Hazard Note: Irritant
HazardClass: IRRITANT
1,5-Dimethyl-1H-pyrazole (CAS NO.694-31-5), its Synonyms are 1,5-Dimethylpyrazole ; Pyrazole,1,5-dimethyl- (6CI,7CI,8CI) ; 1H-Pyrazole,1,5-dimethyl- .
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