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Benzene,(2-chloroethenyl)-

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Name

Benzene,(2-chloroethenyl)-

EINECS 210-726-1
CAS No. 622-25-3 Density 1.106 g/cm3
PSA 0.00000 LogP 2.89610
Solubility N/A Melting Point N/A
Formula C8H7Cl Boiling Point 199.8 °C at 760 mmHg
Molecular Weight 138.597 Flash Point 70.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 622-25-3 (BETA-CHLOROSTYRENE) Hazard Symbols N/A
Synonyms

(2-Chlorovinyl)benzene;

Article Data 59

Benzene,(2-chloroethenyl)- Specification

The Benzene,(2-chloroethenyl)-, with the CAS registry number of 622-25-3, is also known as (2-Chlorovinyl)benzene. Its EINECS registry number is 210-726-1. This chemical's molecular formula is C8H7Cl and molecular weight is 138.59. What's more, its IUPAC name is [(E)-2-Chloroethenyl]benzene.

Physical properties about the Benzene,(2-chloroethenyl)- are: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 82.42; (6)ACD/BCF (pH 7.4): 82.42; (7)ACD/KOC (pH 5.5): 818.68; (8)ACD/KOC (pH 7.4): 818.68; (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: 1.591; (14)Molar Refractivity: 42.35 cm3; (15)Molar Volume: 125.2 cm3; (16)Surface Tension: 36.9 dyne/cm; (17)Density: 1.106 g/cm3; (18)Flash Point: 70.1 °C; (19)Boiling Point: 199.8 °C at 760 mmHg; (20)Vapour Pressure: 0.475 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Vinylbenzene with (2-Chloro-vinyl)-benzene. The reaction needs reagent Cl2 and solvent 1,2-Dichloro-ethane. The reaction temperature is 20 °C. The yield is about 71 %.

The Benzene,(2-chloroethenyl)- can be obtained by Vinylbenzene and (2-Chloro-vinyl)-benzene

Uses: it is used to produce other chemicals. For example, it is used to produce 1-Phenyl-1,2-bis-diphenylphosphinoyl-ethan. This reaction needs reagent KOH. Meanwhile, it needs solvent Dimethylsulfoxide. The yield is about 64.7 %.

The Benzene,(2-chloroethenyl)- can react with Diphenylphosphane oxide to get 1-Phenyl-1,2-bis-diphenylphosphinoyl-ethan

You can still convert the following datas into molecular structure:
(1) SMILES: Cl[C@H]=Cc1ccccc1
(2) InChI: InChI=1/C8H7Cl/c9-7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
(3) InChIKey: SBYMUDUGTIKLCR-VOTSOKGWBH

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