(3,4-Dichlorophenyl)methanesulfonyl chloride

Base Information

• Chemical Name: (3,4-Dichlorophenyl)methanesulfonyl chloride
• CAS No.: 85952-30-3
• Molecular Formula: C7H5 Cl3 O2 S
• Molecular Weight: 259.541
• Hs Code.: 2904909090
• European Community (EC) Number: 635-944-8
• DSSTox Substance ID: DTXSID80383267
• Wikidata: Q72467516
• Mol file: 85952-30-3.mol

Synonyms:85952-30-3;(3,4-Dichlorophenyl)methanesulfonyl chloride;(3,4-Dichloro-phenyl)-methanesulfonyl chloride;3,4-Dichlorobenzylsulfonyl chloride;(3,4-Dichlorophenyl)methanesulphonyl chloride;[(3,4-dichlorophenyl)methyl]sulfonyl chloride;(3,4-Dichlorophenyl)-methanesulfonyl chloride;MFCD01631929;3,4-Dichloro-alpha-toluenesulfonyl chloride;benzenemethanesulfonyl chloride, 3,4-dichloro-;SCHEMBL271305;DTXSID80383267;DRYGYFAFCNDLEJ-UHFFFAOYSA-N;AR2927;GEO-01002;3,4-dichorophenylmethanesufonylchloride;AKOS000130813;AB09401;CS-W014072;3,4-dichlorophenylmethanesufonylchloride;3,4-dichlorophenylmethanesulfonylchloride;3,4-dichlorophenylmethanesulfonyl chloride;AS-45481;3,4-Dichlorobenzylsulfonyl chloride, 97%;3,4-dichlorophenylmethyl sulfonyl chloride;(3,4-Dichlorophenyl)methanesulfonylchloride;3,4-dichlorophenyl-methanesulfonyl chloride;[(3,4-dichlorophenyl)methyl]sulfonylchloride;BB 0259376;FT-0604681;benzenemethanesulfonyl chloride, 3,4-dichloro;EN300-65746;[(3,4-dichlorophenyl)methyl]sulphonyl chloride;1-(3,4-dichlorophenyl)methanesulfonyl chloride;A841504;Z(2-Cl)-OSu?N-(2-Chlorobenzyloxycarbonyloxy)succinimide

Chemical Property of (3,4-Dichlorophenyl)methanesulfonyl chloride

Chemical Property:

• Vapor Pressure: 7.48E-05mmHg at 25°C
• Melting Point: 65-69oC
• Boiling Point: 353.1°C at 760 mmHg
• Flash Point: 167.3°C
• PSA: 42.52000
• Density: 1.601g/cm³
• LogP: 4.14280
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 257.907584
• Heavy Atom Count: 13
• Complexity: 259

Purity/Quality:

97% ^*data from raw suppliers

(3,4-Dichlorophenyl)methanesulfonylChloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CS(=O)(=O)Cl)Cl)Cl

Technology Process of (3,4-Dichlorophenyl)methanesulfonyl chloride

There total 5 articles about (3,4-Dichlorophenyl)methanesulfonyl chloride 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: 45.0%

thioacetic acid S-(3,4-dichlorobenzyl)ester → [(3,4-dichlorophenyl)-methyl]sulfonyl chloride (85952-30-3)

Guidance literature:

With hydrogenchloride; N-chloro-succinimide; In acetonitrile; at 0 ℃; for 0.5h;

Reference yield:

S-(3,4-dichlorobenzyl)isothiourea hydrochloric acid salt (22816-60-0) → [(3,4-dichlorophenyl)-methyl]sulfonyl chloride (85952-30-3)

Guidance literature:

With hydrogenchloride; N-chloro-succinimide; In water; acetonitrile; at 0 - 20 ℃; for 0.5h;

DOI:10.1016/j.ejmech.2020.112470

Reference yield:

3,4-Dichlorophenylmethyl chloride (102-47-6) → [(3,4-dichlorophenyl)-methyl]sulfonyl chloride (85952-30-3)

Guidance literature:

With methanol; sodium thiosulfate; und Behandeln des Reaktionsprodukts mit Chlor und wss.Essigsaeure;

DOI:10.1021/jo01144a013

upstream raw materials:

3,4-Dichlorophenylmethyl chloride

sodium (3,4‐dichlorophenyl)methanesulfonate

S-(3,4-dichlorobenzyl)isothiourea hydrochloric acid salt

3,4-dichlorobenzyl bromide

Downstream raw materials:

[(E)-2-(2,4-Dichloro-phenyl)-vinyl]-trimethyl-silane

N-phenylethyl-3,4-dichlorobenzylsulfonamide

N-(3,4-dichlorobenzyl-sulfonyl)-1,2,3,4-tetrahydroisoquinoline

N-(3,4-dichlorobenzylsulfonyl)-2,3,4,5-tetrahydro-1H-2-benzazepine