ChemSpider 2D Image | (2S)-Bromo(chloro)acetonitrile | C2HBrClN

(2S)-Bromo(chloro)acetonitrile

  • Molecular FormulaC2HBrClN
  • Average mass154.393 Da
  • Monoisotopic mass152.898087 Da
  • ChemSpider ID34993990

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-Brom(chlor)acetonitril [German] [ACD/IUPAC Name]
(2S)-Bromo(chloro)acetonitrile [ACD/IUPAC Name]
(2S)-Bromo(chloro)acétonitrile [French] [ACD/IUPAC Name]
Acetonitrile, 2-bromo-2-chloro-, (2S)- [ACD/Index Name]
83463-62-1 [RN]
BROMOCHLOROACETONITRILE
UNII-SHY3J1BBQ6

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

Density: 1.9±0.1 g/cm3
Boiling Point: 121.1±20.0 °C at 760 mmHg
Vapour Pressure: 14.8±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.9±3.0 kJ/mol
Flash Point: 27.1±21.8 °C
Index of Refraction: 1.507
Molar Refractivity: 23.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.57
ACD/KOC (pH 5.5): 162.04
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.57
ACD/KOC (pH 7.4): 162.04
Polar Surface Area: 24 Å2
Polarizability: 9.4±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 79.9±3.0 cm3

Click to predict properties on the Chemicalize site


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