Basic information
- Name:
Bicyclo[2.2.1]hept-5-ene-2-carbonitrile,2-chloro-
- Superlist Name:
- 2-Chlorobicyclo[2.2.1]hept-5-ene-2-carbonitrile
- CAS No.:
6945-87-5
- Molecular Structure:
![Molecular Structure of 6945-87-5 (Bicyclo[2.2.1]hept-5-ene-2-carbonitrile,2-chloro-)](http://www.lookchem.com/300w/2010/0626/6945-87-5.jpg)
- Formula:
- C8H8ClN
- Molecular Weight:
- 153.60882
- Synonyms:
- 5-Norbornene-2-carbonitrile,2-chloro- (7CI);2-Chlorobicyclo[2.2.1]hept-5-ene-2-carbonitrile;3-Chloro-3-cyano-5-norbornene;NSC 52586;2-chlorobicyclo[2.2.1]hept-5-ene-2-carbonitrile;Bicyclo[2.2.1]hept-5-ene-2-carbonitrile, 2-chloro-;
- Density:
- 1.24 g/cm3
- Boiling Point:
- 264 °C at 760 mmHg
- Flash Point:
- 116.5 °C
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Specification
The Bicyclo[2.2.1]hept-5-ene-2-carbonitrile,2-chloro-, with the CAS registry number 6945-87-5, has the systematic name of 2-chlorobicyclo[2.2.1]hept-5-ene-2-carbonitrile. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H8ClN.
The characteristics of Bicyclo[2.2.1]hept-5-ene-2-carbonitrile,2-chloro- are as followings: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 23.79 Å2; (7)Index of Refraction: 1.553; (8)Molar Refractivity: 39.64 cm3; (9)Molar Volume: 123.8 cm3; (10)Polarizability: 15.71×10-24cm3; (11)Surface Tension: 44.3 dyne/cm; (12)Density: 1.24 g/cm3; (13)Flash Point: 116.5 °C; (14)Enthalpy of Vaporization: 50.18 kJ/mol; (15)Boiling Point: 264 °C at 760 mmHg; (16)Vapour Pressure: 0.00996 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClC2(C#N)C1\C=C/C(C1)C2
(2)InChI: InChI=1/C8H8ClN/c9-8(5-10)4-6-1-2-7(8)3-6/h1-2,6-7H,3-4H2
(3)InChIKey: UCYKNDOOVFKJKU-UHFFFAOYAM