Chloromethyl p-Tolyl Sulfide

Base Information

• Chemical Name: Chloromethyl p-Tolyl Sulfide
• CAS No.: 34125-84-3
• Molecular Formula: C8H9 Cl S
• Molecular Weight: 172.678
• Hs Code.: 2930909090
• European Community (EC) Number: 679-668-6
• DSSTox Substance ID: DTXSID50363596
• Nikkaji Number: J338.253B
• Wikidata: Q82147329
• Mol file: 34125-84-3.mol

Synonyms:Chloromethyl p-Tolyl Sulfide;34125-84-3;1-(chloromethylsulfanyl)-4-methylbenzene;(chloromethyl)(p-tolyl)sulfane;1-[(chloromethyl)sulfanyl]-4-methylbenzene;chloromethyl 4-methylphenyl sulfide;Chloromethylp-tolyl sulfide;4-(Chloromethylthio)toluene;p-Tolyl Chloromethyl Sulfide;p-tolyl chloromethyl sulphide;(Choromethyl)(p-tolyl)sulfane;SCHEMBL2729179;DTXSID50363596;MFCD01318451;AKOS006228779;1-[(Chloromethyl)thio]-4-methylbenzene;AS-59468;BP-10245;C1601;CS-0213324;FT-0639159;T70798;J-019461

Chemical Property of Chloromethyl p-Tolyl Sulfide

Chemical Property:

• Vapor Pressure: 0.118mmHg at 25°C
• Refractive Index: 1.574
• Boiling Point: 227.3°C at 760 mmHg
• Flash Point: 92.5°C
• PSA: 25.30000
• Density: 1.17
• LogP: 3.28340
• Storage Temp.: Refrigerator
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 172.0113492
• Heavy Atom Count: 10
• Complexity: 87.3

Purity/Quality:

97% ^*data from raw suppliers

Chloromethyl p-Tolyl Sulfide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)SCCl

Technology Process of Chloromethyl p-Tolyl Sulfide

There total 12 articles about Chloromethyl p-Tolyl 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: 100.0%

4-methylphenyl methylsulfide (623-13-2) → chloromethyl p-tolyl sulfide (34125-84-3)

Guidance literature:

With N-chloro-succinimide; In chlorobenzene; at 35 - 45 ℃; Product distribution / selectivity; Inert atmosphere;

Reference yield: 92.0%

Methyl p-tolyl sulfoxide (934-72-5) → 4-methylphenyl methylsulfide (623-13-2) + chloromethyl p-tolyl sulfide (34125-84-3)

Guidance literature:

With thionyl chloride; triphenylphosphine; In tetrahydrofuran; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/jo4008157

Reference yield: 87.0%

p-tolylthiotrimethylsilylmethane (17988-39-5) → chloromethyl p-tolyl sulfide (34125-84-3)

Guidance literature:

With N-chloro-succinimide; trifluoroacetic acid; In tetrachloromethane; at 0 ℃;

DOI:10.1039/c39870001443

upstream raw materials:

4-methylphenyl methylsulfide

para-thiocresol

formaldehyd

p-tolylthiotrimethylsilylmethane

Downstream raw materials:

dithiophosphoric acid O,O'-diethyl ester-S-(p-tolylsulfanyl-methyl ester)

dithiocarbonic acid O-ethyl ester-S-(p-tolylsulfanyl-methyl ester)

diethyl S-(4-methylphenylthio)methyl phosphorothiolate

1,2-bis(p-tolylthio)ethane