The Benzene,1-chloro-4-(1-methylethenyl)-, with the CAS registry number 1712-70-5, is also known as 2-(4-Chlorophenoxy)ethyl chloride. It belongs to the product categories of Monomers; Polymer Science; Styrene and Functionalized Styrene Monomerss. Its EINECS number is 216-984-1. This chemical's molecular formula is C9H9Cl and formula weight is 152.62. What's more, its IUPAC name is 1-chloro-4-(prop-1-en-2-yl)benzene. It is used as organic intermediates.
Physical properties of Benzene,1-chloro-4-(1-methylethenyl)- are: (1)ACD/LogP: 4.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.023; (4)ACD/BCF (pH 5.5): 671.591; (5)ACD/KOC (pH 5.5): 3674.885; (6)#Freely Rotating Bonds: 1; (7)Index of Refraction: 1.528; (8)Molar Refractivity: 45.347 cm3; (9)Molar Volume: 147.196 cm3; (10)Surface Tension: 31.325 dyne/cm; (11)Density: 1.037 g/cm3; (12)Flash Point: 73.889 °C; (13)Enthalpy of Vaporization: 42.503 kJ/mol; (14)Boiling Point: 206.866 °C at 760 mmHg; (15)Vapour Pressure: 0.333 mmHg at 25°C.
Uses of Benzene,1-chloro-4-(1-methylethenyl)-: it can be used to produce 3-bromo-2-(4-chlorophenyl)propene at the temperature of 20°C. It will need reagent N-bromosuccinimide, TMSCl and solvent CH2Cl2, tetrahydrofuran. It will also need catalyst Yb(OTf)3. The yield is about 82%.
When you are using this chemical, please be cautious about it as the following:
When using this chemical, you should avoid contact with skin and eyes. You must not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer).
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=C)c1ccc(cc1)Cl
(2)InChI: InChI=1S/C9H9Cl/c1-7(2)8-3-5-9(10)6-4-8/h3-6H,1H2,2H3
(3)InChIKey: WQDGTJOEMPEHHL-UHFFFAOYSA-N
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