CAS No.2635-68-9,2-(TRICHLOROMETHYL)BENZONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2635-68-9
Name:	2-(TRICHLOROMETHYL)BENZONITRILE
Article Data:	4

Formula:	C₈H₄C_l3N
Molecular Weight:	220.485
Synonyms:	o-Tolunitrile, a,a,a-trichloro- (7CI,8CI);2-(Trichloromethyl)benzonitrile;NSC 202048;o-Cyanobenzotrichloride;
Density:	1.45 g/cm³
Boiling Point:	311.1 °C at 760mmHg
Flash Point:	134.1 °C
PSA:	23.79000
LogP:	3.38498

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Specification

The Benzonitrile,2-(trichloromethyl)- is an organic compound with the formula C₈H₄C_l3N. Its CAS registry number is 2635-68-9. The IUPAC name of this chemical is 2-(triChloromethyl)benzonitrile. In addition, the molecular weight is 220.48.

Physical properties about Benzonitrile,2-(trichloromethyl)- are: (1)ACD/LogP: 2.78; (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: 1.58; (8)Molar Refractivity: 50.45 cm³; (9)Molar Volume: 151.4 cm³; (10)Polarizability: 20×10^-24 cm³; (11)Surface Tension: 50.7 dyne/cm; (12)Density: 1.45 g/cm³; (13)Flash Point: 134.1 °C; (14)Enthalpy of Vaporization: 55.19 kJ/mol; (15)Boiling Point: 311.1 °C at 760 mmHg; (16)Vapour Pressure: 0.000577 mmHg at 25 °C.

Uses of Benzonitrile,2-(trichloromethyl)-: it can be used to produce other chemicals. For example, it is used to produce 2,2'-(1,1,2,2-tetrachloroethane-1,2-diyl)bis(benzonitrile). The reaction occurs with reagent FeCl₂*4H₂O and solvent acetonitrile at 25 ℃ for 7 hours. The yield is 65 %. The reaction equation is as followed:

Benzonitrile,2-(trichloromethyl)- can be used to produce 2,2'-(1,1,2,2-tetrachloroethane-1,2-diyl)bis(benzonitrile).

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(Cl)(Cl)c1ccccc1C#N
(2) InChI: InChI=1/C8H4Cl3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H
(3) InChIKey: GBKJYWAWSNXSIQ-UHFFFAOYAT