Molecular Structure of 1-Phenyl-4-iodopyrazole (CAS NO.23889-85-2):
Systematic Name: 1H-Pyrazole, 4-iodo-1-phenyl-
Molecular Formula: C9H7IN2
Molecular Weight: 270.07
CAS Registry Number: 23889-85-2
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 1
Index of Refraction: 1.688
Molar Refractivity: 58.58 cm3
Molar Volume: 153.4 cm3
Surface Tension: 50.3 dyne/cm
Density: 1.75 g/cm3
Flash Point: 147.6 °C
Enthalpy of Vaporization: 53.98 kJ/mol
Boiling Point: 320.5 °C at 760 mmHg
Vapour Pressure: 0.000595 mmHg at 25 °C
SMILES: c1ccc(cc1)n2cc(cn2)I
InChI: InChI=1/C9H7IN2/c10-8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7H
InChIKey: PYJVDCYRDQUUKO-UHFFFAOYAF
1-Phenyl-4-iodopyrazole (CAS NO.23889-85-2), its Synonyms are 1H-Pyrazole,4-iodo-1-phenyl- ; Pyrazole,4-iodo-1-phenyl- (8CI) ; 4-Iodo-1-phenyl-1H-pyrazole .
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