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| CAS No.: | 2373-51-5 |
|---|---|
| Name: | CHLOROMETHYL METHYL SULFIDE |
| Article Data: | 49 |
| Molecular Structure: | |
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|
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| Formula: | C2H5ClS |
| Molecular Weight: | 96.5807 |
| Synonyms: | a-Chlorodimethyl sulfide;Monochlorodimethylsulfide;NSC 63205;Methyl chloromethyl sulfide;Chloromethylsulfanylmethane;Sulfide,chloromethyl methyl (6CI,7CI,8CI);(Methylthio)methyl chloride;Chloro(methylthio)methane;Chlorodimethyl sulfide;Chlorodimethyl thioether;Chloromethyl methyl sulfide;Chloromethyl methyl thioether; |
| EINECS: | 219-148-4 |
| Density: | 1.111 g/cm3 |
| Boiling Point: | 105 °C at 760 mmHg |
| Flash Point: | 17.2 °C |
| Solubility: | Soluble in acetonitrile, ether and dichloromethane. Insoluble in water. |
| Appearance: | clear yellow to brown liquid |
| Hazard Symbols: |
 F, Xi
|
| Risk Codes: | 11-37 |
| Safety: | 9-16-33 |
| PSA: | 25.30000 |
| LogP: | 1.54570 |
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Specification
The Methane,chloro(methylthio)- (9CI), with the CAS registry number 2373-51-5, is also known as Methylthiomethyl chloride. Its EINECS registry number is 219-148-4. This chemical's molecular formula is C2H5ClS and molecular weight is 96.5791. Its IUPAC name is called chloro(methylsulfanyl)methane. This chemical's classification code is Mutation data. It is clear yellow to brown liquid.
Physical properties of Methane,chloro(methylthio)- (9CI): (1)ACD/LogP: 1.05; (2)ACD/LogD (pH 5.5): 1.04; (3)ACD/LogD (pH 7.4): 1.04; (4)ACD/BCF (pH 5.5): 3.66; (5)ACD/BCF (pH 7.4): 3.66; (6)ACD/KOC (pH 5.5): 88.16; (7)ACD/KOC (pH 7.4): 88.16; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.468; (10)Molar Refractivity: 24.16 cm3; (11)Molar Volume: 86.9 cm3; (12)Surface Tension: 28.5 dyne/cm; (13)Density: 1.111 g/cm3; (14)Flash Point: 17.2 °C; (15)Enthalpy of Vaporization: 32.97 kJ/mol; (16)Boiling Point: 105 °C at 760 mmHg; (17)Vapour Pressure: 35 mmHg at 25°C.
Preparation: this chemical can be prepared by dimethyl sulfoxide. This reaction will need reagent dichloromethane and thionyl chloride.
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Uses of Methane,chloro(methylthio)- (9CI): it can be used to produce iodomethyl-methyl sulfid at temperature of 20 °C. This reaction is a kind of Substitution. It will need reagent NaI and solvent CCl4 with reaction time of 6 hours. The yield is about 70%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may catch fire in contact with air and only need brief contact with an ignition source which has a very low flash point or evolve highly flammable gases in contact with water. It may cause inflammation to the skin or other mucous membranes. This chemical is highly flammable. In addition, it is irritating to respiratory system. You should keep it away from sources of ignition - No smoking.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CSCCl
(2)InChI: InChI=1S/C2H5ClS/c1-4-2-3/h2H2,1H3
(3)InChIKey: JWMLCCRPDOIBAV-UHFFFAOYSA-N