CAS No.7205-91-6,CHLOROMETHYL PHENYL SULFIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7205-91-6
Name:	CHLOROMETHYL PHENYL SULFIDE
Article Data:	64

Formula:	C₇H₇ClS
Molecular Weight:	158.652
Synonyms:	Sulfide,chloromethyl phenyl (6CI,7CI,8CI);(Chloromethylthio)benzene;(Phenylthio)methyl chloride;Chloro(phenylthio)methane;Chloromethyl phenylsulfide;Chloromethyl phenyl thioether;NSC 203003;Phenyl chloromethylsulfide;a-Chlorothioanisole;
EINECS:	230-579-7
Density:	1.2 g/cm³
Boiling Point:	275.6 °C at 760 mmHg
Flash Point:	101.1 °C
Safety:	23-24/25
PSA:	25.30000
LogP:	2.97500

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Specification

The Benzene,[(chloromethyl)thio]-, with CAS registry number 7205-91-6, has the systematic name of [(chloromethyl)sulfanyl]benzene. This chemical should be stored in the refrigerator. When use this chemical, do not breathe vapour and avoid contact with skin and eyes. What's more, its EINECS is 230-579-7.

Physical properties of Benzene,[(chloromethyl)thio]-: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 2.65; (5)ACD/BCF (pH 5.5): 60.75; (6)ACD/BCF (pH 7.4): 60.75; (7)ACD/KOC (pH 5.5): 658.11; (8)ACD/KOC (pH 7.4): 658.11; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.3 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 44.22 cm³; (15)Molar Volume: 131.9 cm³; (16)Polarizability: 17.53×10^-24cm³; (17)Surface Tension: 41.5 dyne/cm; (18)Density: 1.2 g/cm³; (19)Flash Point: 101.1 °C; (20)Enthalpy of Vaporization: 49.34 kJ/mol; (21)Boiling Point: 275.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00847 mmHg at 25°C.

Preparation: this chemical can be prepared by methylsulfanyl-benzene. This reaction will need reagent NCS and solvent CCl₄. The reaction temperature is 20 ℃.

Uses of Benzene,[(chloromethyl)thio]-: it can be used to produce azidomethyl-phenyl sulfide. This reaction will need reagent aqueous sodium azide solution.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCSc1ccccc1
(2)InChI: InChI=1/C7H7ClS/c8-6-9-7-4-2-1-3-5-7/h1-5H,6H2
(3)InChIKey: LLSMWLJPWFSMCP-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C7H7ClS/c8-6-9-7-4-2-1-3-5-7/h1-5H,6H2
(5)Std. InChIKey: LLSMWLJPWFSMCP-UHFFFAOYSA-N