3-Chloro-2-methylphenyl methyl sulfide

Base Information

• Chemical Name: 3-Chloro-2-methylphenyl methyl sulfide
• CAS No.: 82961-52-2
• Molecular Formula: C8H9ClS
• Molecular Weight: 172.678
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID60564198
• Wikidata: Q72489497
• Mol file: 82961-52-2.mol

Synonyms:3-Chloro-2-methylphenyl methyl sulfide;82961-52-2;2-Methyl-3-chlorothioanisole;(3-chloro-2-methylphenyl)(methyl)sulfane;1-chloro-2-methyl-3-methylsulfanylbenzene;Benzene,1-chloro-2-methyl-3-(methylthio)-;1-CHLORO-2-METHYL-3-(METHYLSULFANYL)BENZENE;Benzene, 1-chloro-2-methyl-3-(methylthio)-;2-Chloro-6-methylthiotoluene;SCHEMBL4030686;DTXSID60564198;AMY36935;AKOS006289233;AC-16439;AS-65045;CS-0046918;F14681;A840478;J-512202;(4-BOC-AMINO-PIPERIDIN-1-YL)-NAPHTHALEN-2-YL-ACETICACID

Chemical Property of 3-Chloro-2-methylphenyl methyl sulfide

Chemical Property:

• Vapor Pressure: 0.132mmHg at 25°C
• Refractive Index: 1.576
• Boiling Point: 225 °C at 760 mmHg
• Flash Point: 91.3 °C
• PSA: 25.30000
• Density: 1.17 g/cm³
• LogP: 3.37030
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 172.0113492
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

99% ^*data from raw suppliers

(3-Chloro-2-methylphenyl)(methyl)sulfane 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=C1Cl)SC
• Uses: 3-Chloro-2-methylphenyl Methylsulfide is used in preparation of (Alkylthio)(haloalkyl)benzene.

Technology Process of 3-Chloro-2-methylphenyl methyl sulfide

There total 9 articles about 3-Chloro-2-methylphenyl methyl sulfide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

6-chlorotoluene-2-diazonium chloride + sodium thiomethoxide (5188-07-8) → 3-chloro-2-methylphenyl methyl sulfide (82961-52-2)

Guidance literature:

With potassium hydroxide; In water; at 0 - 10 ℃; for 6h; Reagent/catalyst; Temperature;

Reference yield: 93.4%

methylthiol (74-93-1) + 2,6-dichlorotoluene (118-69-4) → 3-chloro-2-methylphenyl methyl sulfide (82961-52-2)

Guidance literature:

methylthiol; With potassium hydroxide; In toluene; at 5 ℃; for 0.5h; Inert atmosphere;

2,6-dichlorotoluene; With 1,4-diaza-bicyclo[2.2.2]octane; In toluene; at 52 ℃; for 5h; Reagent/catalyst; Temperature;

Reference yield: 77.0%

2,6-dichlorotoluene (118-69-4) + methyl iodide (74-88-4) + sodium thiomethoxide (5188-07-8) → 3-chloro-2-methylphenyl methyl sulfide (82961-52-2)

Guidance literature:

In N,N,N,N,N,N-hexamethylphosphoric triamide; water;

upstream raw materials:

2,6-dichlorotoluene

sodium thiomethoxide

methyl iodide

3-chloro-2-methylbenzenamine

Downstream raw materials:

2-methoxy-6-methylsulfanyl-toluene

3-Chloro-2-methylphenyl methyl sulphone

3-Methoxy-2-methylphenyl methyl sulphone

2-chloro-3-methyl-4-methylthio-acetophenone