ChemSpider 2D Image | 2-Chloro-4-isothiocyanato-1-methoxybenzene | C8H6ClNOS

2-Chloro-4-isothiocyanato-1-methoxybenzene

  • Molecular FormulaC8H6ClNOS
  • Average mass199.657 Da
  • Monoisotopic mass198.985855 Da
  • ChemSpider ID23913742

More details:

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

2-Chlor-4-isothiocyanato-1-methoxybenzol [German] [ACD/IUPAC Name]
2-Chloro-4-isothiocyanato-1-methoxybenzene [ACD/IUPAC Name]
2-Chloro-4-isothiocyanato-1-méthoxybenzène [French] [ACD/IUPAC Name]
Benzene, 2-chloro-4-isothiocyanato-1-methoxy- [ACD/Index Name]
23165-42-6 [RN]
2-Chloro-4-isothiocyanato-1-methoxy-benzene
MFCD09901295 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 315.9±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.5±3.0 kJ/mol
Flash Point: 144.8±25.1 °C
Index of Refraction: 1.573
Molar Refractivity: 53.0±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 733.10
ACD/KOC (pH 5.5): 3912.77
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 733.10
ACD/KOC (pH 7.4): 3912.77
Polar Surface Area: 54 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 37.1±7.0 dyne/cm
Molar Volume: 161.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement