2,4-Dichlorobenzyl mercaptan

Base Information

• Chemical Name: 2,4-Dichlorobenzyl mercaptan
• CAS No.: 59293-67-3
• Molecular Formula: C7H6 Cl2 S
• Molecular Weight: 193.097
• Hs Code.: 2930909090
• European Community (EC) Number: 261-687-2
• NSC Number: 33218
• DSSTox Substance ID: DTXSID70208016
• Nikkaji Number: J308.656I
• Wikidata: Q83082081
• ChEMBL ID: CHEMBL1224561
• Mol file: 59293-67-3.mol

Synonyms:2,4-Dichlorobenzyl mercaptan;(2,4-Dichlorophenyl)methanethiol;59293-67-3;2,4-Dichlorobenzylmercaptan;2,4-dichlorophenylmethanethiol;2,4-Dichlorobenzenemethanethiol;2,4-Dichlorotoluene-alpha-thiol;Benzenemethanethiol, 2,4-dichloro-;CHEMBL1224561;EINECS 261-687-2;AI3-31458;2,4-Dichloro-alpha-toluenethiol;NSC33218;D0SZ9F;2,4-Dichlorothiobenzyl Alcohol;SCHEMBL1802752;ZSPXTTVUJDSRNJ-UHFFFAOYSA-;DTXSID70208016;2,4-Dichloro-alpha-mercaptotoluene;2,4-Dichlorotoluene-.alpha.-thiol;(2,4-Dichlorophenyl)methanethiol #;BDBM50325570;MFCD00039650;NSC 33218;NSC-33218;AKOS000199941;AM101002;BS-44026;FT-0610053;D90012;EN300-1085533

Chemical Property of 2,4-Dichlorobenzyl mercaptan

Chemical Property:

• Vapor Pressure: 0.0139mmHg at 25°C
• Refractive Index: 1.6045
• Boiling Point: 150-151°C 12mm
• Flash Point: 150-151°C/12mm
• PSA: 38.80000
• Density: 1,36 g/cm3
• LogP: 3.42320
• Sensitive.: Air Sensitive
• Water Solubility.: Insoluble in water
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 191.9567268
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

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

2,4-Dichlorobenzyl Mercaptan ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 23-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)CS

Technology Process of 2,4-Dichlorobenzyl mercaptan

There total 9 articles about 2,4-Dichlorobenzyl mercaptan 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: 97.0%

2,4-Dichlorobenzyl chloride (94-99-5) → 2,4-dichlorobenzyl mercaptan (59293-67-3)

Guidance literature:

With hydrosulfide exchange resin; In acetonitrile; at 25 ℃; for 0.25h;

DOI:10.1039/a707241d

Reference yield: 95.0%

(2,4-dichlorophenyl)methanol (1777-82-8) → 2,4-dichlorobenzyl mercaptan (59293-67-3)

Guidance literature:

(2,4-dichlorophenyl)methanol; With N-Bromosuccinimide; triphenylphosphine; In acetone; at -10 - 25 ℃;

With polymer supported hydrosulfide resin; In acetone; at 25 ℃; for 0.166667h;

Reference yield:

2,4-dichlorobenzaldeyhde (874-42-0) → 2,4-dichlorobenzyl mercaptan (59293-67-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium tetrahydroborate / methanol

2: Lawessons reagent / toluene / 48 h / Reflux

With Lawessons reagent; sodium tetrahydroborate; In methanol; toluene;

DOI:10.1002/adsc.201701518

upstream raw materials:

dimethyl-dithiocarbamic acid-(2,4-dichloro-benzyl ester)

2,4-dichloro-1-{[(2,4-dichlorobenzyl)disulfanyl]methyl}benzene

2,4-Dichlorobenzyl chloride

thiourea

Downstream raw materials:

2-[[(2,4-dichlorobenzyl)dithio]methyl]-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno-[5,6-d]imidazol-2-yl)pyridinium chloride

Refernces

• 1、 Bandgar,Sadavarte. "One pot rapid synthesis of thiols from alcohols under mild conditions". . p. 908 - 910. Retrieved 2007/10/03.
• 2、 Tait,Di Bella,Bondi,Quaglio,Fabio. "Carbamimidothioic acid phenylmethyl ester salts and their N,N'-tetramethyl derivatives as possible antimicrobial agents". . p. 617 - 630. Retrieved 2007/10/02.