Benzyl chloromethyl sulfide

Base Information

• Chemical Name: Benzyl chloromethyl sulfide
• CAS No.: 3970-13-6
• Molecular Formula: C8H9 Cl S
• Molecular Weight: 172.678
• Hs Code.: 2930909090
• European Community (EC) Number: 678-049-8
• NSC Number: 266050
• DSSTox Substance ID: DTXSID90313035
• Wikidata: Q82063882
• Mol file: 3970-13-6.mol

Synonyms:Benzyl chloromethyl sulfide;3970-13-6;Benzyl(chloromethyl)sulfane;{[(Chloromethyl)thio]methyl}benzene;chloromethylsulfanylmethylbenzene;{[(CHLOROMETHYL)SULFANYL]METHYL}BENZENE;C(SCCl)c1ccccc1;NSC266050;benzyl chloromethyl thioether;SCHEMBL231574;alpha-(Chloromethylthio)toluene;DTXSID90313035;MFCD02093436;AKOS025116850;NSC 266050;NSC-266050;Benzene, [[(chloromethyl)thio]methyl]-;AS-59128;([(Chloromethyl)sulfanyl]methyl)benzene #;B1937;CS-0205241;FT-0635083;D88878;A824697

Chemical Property of Benzyl chloromethyl sulfide

Chemical Property:

• Vapor Pressure: 0.0831mmHg at 25°C
• Refractive Index: 1.5780-1.5820
• Boiling Point: 233.9°Cat760mmHg
• Flash Point: 95.9°C
• PSA: 25.30000
• Density: 1.169g/cm³
• LogP: 3.11610
• Storage Temp.: Refrigerator
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 172.0113492
• Heavy Atom Count: 10
• Complexity: 79.3

Purity/Quality:

98%,99%, ^*data from raw suppliers

Benzyl Chloromethyl Sulfide ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CSCCl

Technology Process of Benzyl chloromethyl sulfide

There total 8 articles about Benzyl chloromethyl 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%

chlorobromomethane (74-97-5) + phenylmethanethiol (100-53-8) → benzyl chloromethyl sulfide (3970-13-6)

Guidance literature:

With potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; at 20 ℃; for 1h;

DOI:10.1081/SCC-100104041

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + phenylmethanethiol (100-53-8) → benzyl chloromethyl sulfide (3970-13-6)

Guidance literature:

With hydrogenchloride; unter Kuehlung;

Reference yield:

benzenesulfonyl chloride (1939-99-7) → benzyl chloromethyl sulfide (3970-13-6)

Guidance literature:

Multi-step reaction with 2 steps

1: Zn, concd. H₂SO₄ / 10 °C

2: concd. HCl / benzene / 2 h / 40 °C

With hydrogenchloride; sulfuric acid; zinc; In benzene;

upstream raw materials:

diazomethane

benzenemethanesulfenyl chloride

formaldehyd

phenylmethanethiol

Downstream raw materials:

bis(benzylthio)methane

4-hydroxy-4-methyl-1-phenyl-2-thiapentane

C₁₃H₂₀NOPS₃

C₁₄H₂₂NOPS₃

Refernces

• 1、 Baum, James Clayton,Hardstaff, William Rayne,Langler, Richard Francis,Makkinje, Anthony. "The sulfohaloform reaction revisited and revised". . p. 1687 - 1691. Retrieved 2007/10/02.