ChemSpider 2D Image | 2-Chloro-4-isocyanatophenol | C7H4ClNO2

2-Chloro-4-isocyanatophenol

  • Molecular FormulaC7H4ClNO2
  • Average mass169.565 Da
  • Monoisotopic mass168.993057 Da
  • ChemSpider ID29778623

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Chlor-4-isocyanatophenol [German] [ACD/IUPAC Name]
2-Chloro-4-isocyanatophenol [ACD/IUPAC Name]
2-Chloro-4-isocyanatophénol [French] [ACD/IUPAC Name]
Phenol, 2-chloro-4-isocyanato- [ACD/Index Name]
3-Chloro-4-hydroxyphenylisocyanate
54840-07-2 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 279.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.9±3.0 kJ/mol
Flash Point: 122.7±24.6 °C
Index of Refraction: 1.579
Molar Refractivity: 41.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 58.05
ACD/KOC (pH 5.5): 636.48
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 47.51
ACD/KOC (pH 7.4): 520.99
Polar Surface Area: 50 Å2
Polarizability: 16.5±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 125.2±7.0 cm3

Click to predict properties on the Chemicalize site






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