ChemSpider 2D Image | [2-(Bromomethyl)-4-chlorophenoxy]acetonitrile | C9H7BrClNO

[2-(Bromomethyl)-4-chlorophenoxy]acetonitrile

  • Molecular FormulaC9H7BrClNO
  • Average mass260.515 Da
  • Monoisotopic mass258.939941 Da
  • ChemSpider ID28544134

More details:

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

[2-(Brommethyl)-4-chlorphenoxy]acetonitril [German] [ACD/IUPAC Name]
[2-(Bromomethyl)-4-chlorophenoxy]acetonitrile [ACD/IUPAC Name]
[2-(Bromométhyl)-4-chlorophénoxy]acétonitrile [French] [ACD/IUPAC Name]
Acetonitrile, 2-[2-(bromomethyl)-4-chlorophenoxy]- [ACD/Index Name]
1094373-19-9 [RN]
2-[2-(bromomethyl)-4-chlorophenoxy]acetonitrile
MFCD11180737

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

Density: 1.6±0.1 g/cm3
Boiling Point: 346.8±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.1±3.0 kJ/mol
Flash Point: 163.5±25.1 °C
Index of Refraction: 1.582
Molar Refractivity: 55.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 134.76
ACD/KOC (pH 5.5): 1164.00
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 134.76
ACD/KOC (pH 7.4): 1164.00
Polar Surface Area: 33 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 164.8±3.0 cm3

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