ChemSpider 2D Image | 2-Chloroacrylonitrile | C3H2ClN

2-Chloroacrylonitrile

  • Molecular FormulaC3H2ClN
  • Average mass87.508 Da
  • Monoisotopic mass86.987579 Da
  • ChemSpider ID21169501

More details:

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

213-055-2 [EINECS]
2-Chloracrylonitril [German] [ACD/IUPAC Name]
2-Chloroacrylonitrile [ACD/IUPAC Name]
2-Chloroacrylonitrile [French] [ACD/IUPAC Name]
2-Chloroprop-2-enenitrile
2-Propenenitrile, 2-chloro- [ACD/Index Name]
920-37-6 [RN]
MFCD00001858 [MDL number]
NCYGU1 [WLN]
β-Chloroacrylonitrile
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

773744 [DBID]
09944_FLUKA [DBID]
22990_FLUKA [DBID]
BRN 0773744 [DBID]
C22369_ALDRICH [DBID]
CCRIS 4693 [DBID]
CCRIS 6869 [DBID]
FFJ1QHD154 [DBID]
NSC 511714 [DBID]
NSC511714 [DBID]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 89.5±13.0 °C at 760 mmHg
Vapour Pressure: 58.4±0.2 mmHg at 25°C
Enthalpy of Vaporization: 33.0±3.0 kJ/mol
Flash Point: 6.7±0.0 °C
Index of Refraction: 1.435
Molar Refractivity: 20.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.34
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.67
ACD/KOC (pH 5.5): 104.89
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.67
ACD/KOC (pH 7.4): 104.89
Polar Surface Area: 24 Å2
Polarizability: 8.0±0.5 10-24cm3
Surface Tension: 31.0±3.0 dyne/cm
Molar Volume: 77.7±3.0 cm3

Click to predict properties on the Chemicalize site


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