1-ALLYL-2-CHLOROBENZENE

The Benzene, 1-chloro-2-(2-propen-1-yl)-, with the CAS registry number 1587-07-1, is also known as 1-Allyl-2-chlorobenzene. This chemical's molecular formula is C₉H₉Cl and molecular weight is 152.62. What's more, its systematic name is 1-Chloro-2-(prop-2-en-1-yl)benzene. In addition, this chemical may cause inflammation to the skin or other mucous membranes. Besides, it should be kept away from light.

Physical properties about Benzene, 1-chloro-2-(2-propen-1-yl)- are: (1)ACD/LogP: 3.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.83; (4)ACD/LogD (pH 7.4): 3.83; (5)ACD/BCF (pH 5.5): 480.41; (6)ACD/BCF (pH 7.4): 480.41; (7)ACD/KOC (pH 5.5): 2891.36; (8)ACD/KOC (pH 7.4): 2891.36; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 45.05 cm³; (15)Molar Volume: 145.8 cm³; (16)Polarizability: 17.86×10^-24 cm³; (17)Surface Tension: 32.6 dyne/cm; (18)Density: 1.046 g/cm³; (19)Flash Point: 71.3 °C; (20)Enthalpy of Vaporization: 41.35 kJ/mol; (21)Boiling Point: 195 °C at 760 mmHg; (22)Vapour Pressure: 0.602 mmHg at 25 °C.

Preparation of Benzene, 1-chloro-2-(2-propen-1-yl)-: this chemical is prepared by reaction of 1-Bromo-2-chloro-benzene with 3-Bromo-propene. The reaction needs reagent Mg. The yield is about 81 %.

Uses of Benzene, 1-chloro-2-(2-propen-1-yl)-: it is used to produce other chemicals. For example, it is used to produce o-Allyl-phenyldiphenylphosphin by heating. This reaction needs reagents Mg and 1, 2-Dibromoethane. Meanwhile, it needs solvent Tetrahydrofuran. The reaction time is 5 hours. The yield is about 36 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccccc1C/C=C
(2) InChI: InChI=1/C9H9Cl/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7H,1,5H2
(3) InChIKey: MMNZJCWUBKBTNG-UHFFFAOYAO