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CAS No.: | 63289-85-0 |
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Name: | 2,2-DICHLOROCYCLOPROPYL PHENYL SULFIDE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C9H8Cl2S |
Molecular Weight: | 219.135 |
Synonyms: | [(1R)-2,2-dichlorocyclopropyl]sulfanylbenzene;2,2-Dichlorocyclopropylphenyl sulphide; |
Density: | 1.37 g/cm3 |
Melting Point: | 28 °C |
Boiling Point: | 317.7 °C at 760 mmHg |
Flash Point: | 139.2 °C |
Appearance: | Clear yellow to brown liquid after melting |
Safety: | 24/25 |
PSA: | 25.30000 |
LogP: | 3.72490 |
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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