3-Chlorostyrene (2039-85-2)

The 3-Chlorostyrene with its cas register number is 2039-85-2. It also can be called as Benzene, 1-chloro-3-ethenyl- and the IUPAC Name about this chemical is 1-chloro-3-ethenylbenzene. It belongs to the following product categories, such as Styrenes, Monomers, Polymer Science, Styrene and Functionalized Styrene Monomers and so on.

Physical properties about 3-Chlorostyrene are: (1)ACD/LogP: 3.52; (2)ACD/LogD (pH 5.5): 3.519; (3)ACD/LogD (pH 7.4): 3.519; (4)ACD/BCF (pH 5.5): 278.384; (5)ACD/BCF (pH 7.4): 278.384; (6)ACD/KOC (pH 5.5): 1956.508; (7)ACD/KOC (pH 7.4): 1956.508; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.575; (10)Molar Refractivity: 42.072 cm³; (11)Molar Volume: 127.332 cm³; (12)Polarizability: 16.679x10^-24cm³; (13)Surface Tension: 34.282 dyne/cm; (14)Enthalpy of Vaporization: 41.213 kJ/mol; (15)Vapour Pressure: 0.646 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation and if swallowed and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection.  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=CC1=CC(=CC=C1)C
(2)InChI: InChI=1S/C8H7Cl/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
(3)InChIKey: BOVQCIDBZXNFEJ-UHFFFAOYSA-N