ChemSpider 2D Image | 3-Chloro-4-[(phenylsulfanyl)methyl]aniline | C13H12ClNS

3-Chloro-4-[(phenylsulfanyl)methyl]aniline

  • Molecular FormulaC13H12ClNS
  • Average mass249.759 Da
  • Monoisotopic mass249.037903 Da
  • ChemSpider ID35791300

More details:

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

3-Chlor-4-[(phenylsulfanyl)methyl]anilin [German] [ACD/IUPAC Name]
3-Chloro-4-[(phenylsulfanyl)methyl]aniline [ACD/IUPAC Name]
3-Chloro-4-[(phénylsulfanyl)méthyl]aniline [French] [ACD/IUPAC Name]
Benzenamine, 3-chloro-4-[(phenylthio)methyl]- [ACD/Index Name]
3-Chloro-4-((phenylthio)methyl)aniline
87740-23-6 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 410.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.3±3.0 kJ/mol
Flash Point: 202.0±25.9 °C
Index of Refraction: 1.665
Molar Refractivity: 72.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 980.04
ACD/KOC (pH 5.5): 4806.74
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 986.98
ACD/KOC (pH 7.4): 4840.78
Polar Surface Area: 51 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 195.3±5.0 cm3

Click to predict properties on the Chemicalize site


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