2-Chlorobicyclo[2.2.1]hept-5-ene-2-carbonitrile supplier

Name
2-CHLORO-2-CYANO-BICYCLO(2,2,1)-HEPT-5-ENE
EINECS
CAS No. 6945-87-5
Article Data14
CAS DataBase
Density 1.24 g/cm³
Solubility
Melting Point
Formula C₈H₈ClN
Boiling Point 264 °C at 760 mmHg
Molecular Weight 153.611
Flash Point 116.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
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-;
PSA 23.79000
LogP 2.08358

2-Chlorobicyclo[2.2.1]hept-5-ene-2-carbonitrile 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

Product Name

2-CHLORO-2-CYANO-BICYCLO(2,2,1)-HEPT-5-ENE

2-Chlorobicyclo[2.2.1]hept-5-ene-2-carbonitrile Specification

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