ChemSpider 2D Image | 4-[Bis(chloromethyl)amino]phenyl thiocyanate | C9H8Cl2N2S

4-[Bis(chloromethyl)amino]phenyl thiocyanate

  • Molecular FormulaC9H8Cl2N2S
  • Average mass247.144 Da
  • Monoisotopic mass245.978531 Da
  • ChemSpider ID28561522

More details:

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

4-[Bis(chlormethyl)amino]phenylthiocyanat [German] [ACD/IUPAC Name]
4-[Bis(chloromethyl)amino]phenyl thiocyanate [ACD/IUPAC Name]
Thiocyanate de 4-[bis(chlorométhyl)amino]phényle [French] [ACD/IUPAC Name]
Thiocyanic acid, 4-[bis(chloromethyl)amino]phenyl ester [ACD/Index Name]
922499-01-2 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 374.8±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.2±3.0 kJ/mol
Flash Point: 180.5±26.5 °C
Index of Refraction: 1.621
Molar Refractivity: 62.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 114.89
ACD/KOC (pH 5.5): 1038.35
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 114.89
ACD/KOC (pH 7.4): 1038.35
Polar Surface Area: 52 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 176.6±5.0 cm3

Click to predict properties on the Chemicalize site


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