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Name |
Chloromethyl phenyl sulfide |
EINECS | 230-579-7 |
CAS No. | 7205-91-6 | Density | 1.2 g/cm3 |
PSA | 25.30000 | LogP | 2.97500 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H7ClS | Boiling Point | 275.6 °C at 760 mmHg |
Molecular Weight | 158.652 | Flash Point | 101.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 23-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
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; |
Article Data | 64 |
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