2,2-DICHLOROCYCLOPROPYL PHENYL SULFIDE

The CAS register number of [(1S)-2,2-dichlorocyclopropyl]sulfanylbenzene is 63289-85-0. It also can be called as 2,2-Dichlorocyclopropylphenyl sulphide and the systematic name about this chemical is [(2,2-dichlorocyclopropyl)sulfanyl]benzene. The molecular formula about this chemical is C₉H₈Cl₂S and the molecular weight is 219.13. It belongs to the following product categories which include Cyclopropanes; Simple 3-Membered Ring Compounds and so on.

Physical properties about [(1S)-2,2-dichlorocyclopropyl]sulfanylbenzene are: (1)ACD/LogP: 2.79; (2)ACD/LogD (pH 5.5): 2.79; (3)ACD/LogD (pH 7.4): 2.79; (4)ACD/BCF (pH 5.5): 77.46; (5)ACD/BCF (pH 7.4): 77.46; (6)ACD/KOC (pH 5.5): 783.06; (7)ACD/KOC (pH 7.4): 783.06; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 25.3 Å²; (10)Index of Refraction: 1.626; (11)Molar Refractivity: 56.26 cm³; (12)Molar Volume: 158.8 cm³; (13)Polarizability: 22.3x10^-24cm³; (14)Surface Tension: 48.3 dyne/cm; (15)Density: 1.37 g/cm³; (16)Flash Point: 139.2 °C; (17)Enthalpy of Vaporization: 53.69 kJ/mol; (18)Boiling Point: 317.7 °C at 760 mmHg; (19)Vapour Pressure: 0.000703 mmHg at 25 °C.

Preparation: this chemical can be prepared by vinylsulfanyl-benzene and trichloromethane. This reaction will need reagent of potassium tert-butoxide and solvent of hexane. The reaction time is 1 hour. The yield is about 39%.

When you are using this chemical, please be cautious about it as the following:
When you are using this chemical, avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC2(Cl)CC2Sc1ccccc1
(2)InChI: InChI=1/C9H8Cl2S/c10-9(11)6-8(9)12-7-4-2-1-3-5-7/h1-5,8H,6H2
(3)InChIKey: DIHSMJVOQUSOTO-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C9H8Cl2S/c10-9(11)6-8(9)12-7-4-2-1-3-5-7/h1-5,8H,6H2
(5)Std. InChIKey: DIHSMJVOQUSOTO-UHFFFAOYSA-N