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| CAS No.: | 622-25-3 |
|---|---|
| Name: | BETA-CHLOROSTYRENE |
| Article Data: | 59 |
| Molecular Structure: | |
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| Formula: | C8H7Cl |
| Molecular Weight: | 138.597 |
| Synonyms: | (2-Chlorovinyl)benzene; |
| EINECS: | 210-726-1 |
| Density: | 1.106 g/cm3 |
| Boiling Point: | 199.8 °C at 760 mmHg |
| Flash Point: | 70.1 °C |
| PSA: | 0.00000 |
| LogP: | 2.89610 |
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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 %.
- can be obtained by Vinylbenzene and (2-Chloro-vinyl)-benzene.png)
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 %.
- can react with Diphenylphosphane oxide to get 1-Phenyl-1,2-bis-diphenylphosphinoyl-ethan.png)
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