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542-81-4

Basic Information
CAS No.: 542-81-4
Name: Ethane,1-chloro-2-(methylthio)- (9CI)
Molecular Structure:
Molecular Structure of 542-81-4 (Ethane,1-chloro-2-(methylthio)- (9CI))
Formula: C3H7ClS
Molecular Weight: 110.61
Synonyms: 2-Chloroethyl methyl sulfide;2-Methylthioethyl chloride;
EINECS: 208-828-6
Density: 1.069 g/cm3
Melting Point:
Boiling Point: 140 °C at 760 mmHg
Flash Point: 42.2 °C
Solubility:
Appearance:
Hazard Symbols: CorrosiveC
Risk Codes: 10-20/22-34
Safety: 26-36/37/39-45
Transport Information:
PSA: 25.30000
LogP: 1.58820
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Specification

The Ethane,1-chloro-2-(methylthio)- (9CI), with the CAS registry number 542-81-4, is also known as 2-Chloroethyl methyl sulfide and 2-Methylthioethyl chloride. It belongs to the product category of Small molecule. Its EINECS registry number is 208-828-6. This chemical's molecular formula is C3H7ClS and molecular weight is 110.61. What's more, both its IUPAC name and systematic name are the same which is called 1-Chloro-2-(methylsulfanyl)ethane.

Physical properties about this chemical are: (1)ACD/LogP: 1.43; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): 1.43; (5)ACD/BCF (pH 5.5): 7.24; (6)ACD/BCF (pH 7.4): 7.24; (7)ACD/KOC (pH 5.5): 143.49; (8)ACD/KOC (pH 7.4): 143.49; (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: 1.468; (14)Molar Refractivity: 28.79 cm3; (15)Molar Volume: 103.4 cm3; (16)Surface Tension: 29.3 dyne/cm; (17)Density: 1.069 g/cm3; (18)Flash Point: 42.2 °C; (19)Enthalpy of Vaporization: 36.17 kJ/mol; (20)Boiling Point: 140 °C at 760 mmHg; (21)Vapour Pressure: 7.81 mmHg at 25 °C.

Preparation of Ethane,1-chloro-2-(methylthio)- (9CI): this chemical can be prepared by 2-Methylsulfanyl-ethanol.

This reaction needs reagents DMAP, SOCl2 and solvent CHCl3 at temperature of 20 °C. The reaction time is 6 hours.

Uses of Ethane,1-chloro-2-(methylthio)- (9CI): it is used to produce other chemicals. For example, it is used to produce (2-Chloro-ethyl)-methyl sulfoxide.

The reaction occurs with reagents 2,6-Di-t-butylpyridine, TBAPF6 and solvents Acetonitrile, H2O. The reaction time is 12 hours. The yield is 70%.

When you are dealing with this chemical, you should be very careful. This chemical is Flammable. So it may causes burns. And this chemical may destroy living tissue on contact. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. In addition, if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCCSC
(2) InChI: InChI=1/C3H7ClS/c1-5-3-2-4/h2-3H2,1H3
(3) InChIKey: MYFKLQFBFSHBPA-UHFFFAOYAN