Benzene,(2,2-dichloro-1-methylcyclopropyl)- (3591-42-2)

The IUPAC name of 2,2-Dichloro-1-methylcyclopropylbenzene is (2,2-Dichloro-1-methylcyclopropyl)benzene. With the CAS registry number 3591-42-2, it is also named as Benzene,(2,2-dichloro-1-methylcyclopropyl)-. The product's category is organics. Beside, it is clear brown liquid. In addition, its molecular formula is C₁₀H₁₀Cl₂ and molecular weight is 201.09. When you are using this chemical, please avoid contact with skin and eyes. 

The other characteristics of this product can be summarized as: (1)EINECS: 222-734-2; (2)ACD/LogP: 3.59; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 3.59; (5)ACD/LogD (pH 7.4): 3.59; (6)ACD/BCF (pH 5.5): 315.04; (7)ACD/BCF (pH 7.4): 315.04; (8)ACD/KOC (pH 5.5): 2137.66; (9)ACD/KOC (pH 7.4): 2137.66; (10)H bond acceptors: 0; (11)H bond donors: 0; (12)Freely Rotating Bonds: 1; (13)Polar Surface Area: 0 Å²; (14)Index of Refraction: 1.571; (15)Molar Refractivity: 52.91 cm³; (16)Molar Volume: 160.9 cm³; (17)Polarizability: 20.97×10^-24cm³; (18)Surface Tension: 39.9 dyne/cm; (19)Density: 1.24 g/cm³; (20)Flash Point: 95 °C; (21)Enthalpy of Vaporization: 47.28 kJ/mol; (22)Boiling Point: 255.3 °C at 760 mmHg; (23)Vapour Pressure: 0.0264 mmHg at 25 °C.

Preparation of 2,2-Dichloro-1-methylcyclopropylbenzene: this chemical can be prepared by Isopropenylbenzene and Trichloromethane.



This reaction needs Br and Oxirane at temperature of 160 °C. The reaction time is 5 hours.

Uses of 2,2-Dichloro-1-methylcyclopropylbenzene: it can react to get 1-Methyl-1-phenyl-cyclopropane.



This reaction needs Sodium and Ethanol at temperature of 110 °C. The reaction time is 30 min. The yield is 85 %.

People can use the following data to convert to the molecule structure.
(1)SMILES:ClC2(Cl)CC2(c1ccccc1)C
(2)InChI:InChI=1/C10H10Cl2/c1-9(7-10(9,11)12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
(3)InChIKey:NXYPRVQXSWVEOB-UHFFFAOYAL
(4)Std. InChI:InChI=1S/C10H10Cl2/c1-9(7-10(9,11)12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
(5)Std. InChIKey:NXYPRVQXSWVEOB-UHFFFAOYSA-N