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CAS No.: | 700-60-7 |
---|---|
Name: | (trichlorovinyl)benzene |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C8H5Cl3 |
Molecular Weight: | 207.487 |
Synonyms: | Benzene,(trichloroethenyl)- (9CI);(Trichlorovinyl)benzene;a,b,b-Trichlorostyrene;(trichloroethenyl)benzene;1,2,2-trichloroethenylbenzene;benzene, (1,2,2-trichloroethenyl)-;Benzene, (trichloroethenyl)-; |
EINECS: | 211-848-8 |
Density: | 1.372 g/cm3 |
Boiling Point: | 237.7 °C at 760 mmHg |
Flash Point: | 148.8 °C |
PSA: | 0.00000 |
LogP: | 4.02910 |
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The Benzene,(1,2,2-trichloroethenyl)-, with the CAS registry number 700-60-7 and EINECS registry number 211-848-8, has the systematic name of (trichloroethenyl)benzene. It is also called 1,2,2-trichloroethenylbenzene, and the molecular formula of the chemical is C8H5Cl3.
The characteristics of Benzene,(1,2,2-trichloroethenyl)- are as followings: (1)ACD/LogP: 3.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.67; (4)ACD/LogD (pH 7.4): 3.67; (5)ACD/BCF (pH 5.5): 362.48; (6)ACD/BCF (pH 7.4): 362.48; (7)ACD/KOC (pH 5.5): 2363.44; (8)ACD/KOC (pH 7.4): 2363.44; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 50.54 cm3; (15)Molar Volume: 151.2 cm3; (16)Polarizability: 20.03×10-24cm3; (17)Surface Tension: 40.8 dyne/cm; (18)Density: 1.372 g/cm3; (19)Flash Point: 148.8 °C; (20)Enthalpy of Vaporization: 45.53 kJ/mol; (21)Boiling Point: 237.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0679 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl/C(=C(/Cl)Cl)c1ccccc1
(2)InChI: InChI=1/C8H5Cl3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H
(3)InChIKey: SVHAMPNLOLKSFU-UHFFFAOYAA