Molecular Structure of Phenol,4-bromo-3,5-difluoro- (CAS No. 130191-91-2):
IUPAC Name: 4-Bromo-3,5-difluorophenol
Molecular Formula: C6H3BrF2O
Molecular Weight: 208.988226 g/mol
CAS Registry Number 130191-91-2
Melting Point: 72-76°C
Index of Refraction: 1.549
Molar Refractivity: 35.81 cm3
Molar Volume: 112.4 cm3
Surface Tension: 42.4 dyne/cm
Density: 1.858 g/cm3
Flash Point: 91.7 °C
Enthalpy of Vaporization: 48.34 kJ/mol
Boiling Point: 228 °C at 760 mmHg
Vapour Pressure: 0.05 mmHg at 25°C
Product Categories: Alcohols and Derivatives;Aromatic Phenols
Structure Descriptors of Phenol,4-bromo-3,5-difluoro- (CAS No. 130191-91-2):
SMILES: Fc1cc(O)cc(F)c1Br
InChI: InChI=1/C6H3BrF2O/c7-6-4(8)1-3(10)2-5(6)9/h1-2,10H
InChIKey: HHGOLZGZHXELSW-UHFFFAOYAV
Std. InChI: InChI=1S/C6H3BrF2O/c7-6-4(8)1-3(10)2-5(6)9/h1-2,10H
Std. InChIKey: HHGOLZGZHXELSW-UHFFFAOYSA-N
Hazard Note: Harmful
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