3,4-Dichlorobenzenesulfonyl chloride

Base Information

• Chemical Name: 3,4-Dichlorobenzenesulfonyl chloride
• CAS No.: 98-31-7
• Molecular Formula: C6H3Cl3O2S
• Molecular Weight: 245.514
• Hs Code.: 29049090
• European Community (EC) Number: 202-656-5
• NSC Number: 2651
• UNII: AX3AD43WDD
• DSSTox Substance ID: DTXSID5059165
• Nikkaji Number: J134.695D
• Wikidata: Q72465484
• Mol file: 98-31-7.mol

Synonyms:3,4-DICHLOROBENZENESULFONYL CHLORIDE;98-31-7;3,4-Dichlorobenzene-1-Sulfonyl Chloride;3,4-Dichlorobenzenesulphonyl chloride;Benzenesulfonyl chloride, 3,4-dichloro-;3,4-Dichlorophenylsulfonyl chloride;3,4-dichlorobenzenesulfonylchloride;3,4-dichloro-benzenesulfonyl chloride;AI3-19279;NSC 2651;NSC-2651;EINECS 202-656-5;MFCD00041255;3,4-dichlorobenzene-sulfonyl chloride;3,4-dichloro benzene sulfonyl chloride;3,4-dichlorobenzenesulfonyl chloride, 95 %;AX3AD43WDD;SCHEMBL18316;2,5-bis(o-tolyloxy)benzenamine;3,4-dichlorbenzensulfonylchlorid;DTXSID5059165;NSC2651;3,4dichlorobenzenesulfonyl chloride;3,4 dichlorophenyl sulfonylchloride;3,4-dichlorobenzenesulphonylchloride;3,4-dichlorophenylsulphonyl chloride;Benzenesulfonyl chloride,4-dichloro-;BBL037536;STK502400;3,4-dichlorobenzene sulfonyl chloride;3.4-dichloro-benzenesulfonyl chloride;AKOS000264827;AM62504;CS-W012711;BP-10474;PS-10908;3,4-dichlorobenzene sulfonic acid chloride;3,4-Dichlorobenzenesulfonyl chloride, 95%;D2990;FT-0614230;EN300-17164;A11262;J-511138;Z56896790

Chemical Property of 3,4-Dichlorobenzenesulfonyl chloride

Chemical Property:

• Appearance/Colour: Clear colorless to light yellow liquid
• Vapor Pressure: 0.00083mmHg at 25°C
• Melting Point: 20-22 °C
• Refractive Index: n20/D 1.589(lit.)
• Boiling Point: 315 °C at 760 mmHg
• Flash Point: 144.3 °C
• PSA: 42.52000
• Density: 1.636 g/cm³
• LogP: 4.00170
• Storage Temp.: Refrigerator
• Sensitive.: Moisture Sensitive
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 243.891934
• Heavy Atom Count: 12
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

3,4-Dichlorobenzenesulfonyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1S(=O)(=O)Cl)Cl)Cl
• Uses: 3,4-Dichloro-benzenesulfonyl Chloride is a useful reagent for organic synthesis.

Technology Process of 3,4-Dichlorobenzenesulfonyl chloride

There total 6 articles about 3,4-Dichlorobenzenesulfonyl 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: 55.0%

3,4-dichlorothiophenol (5858-17-3) → 3,4-dichlorobenzenesulphonyl chloride (98-31-7)

Guidance literature:

With ammonium nitrate; hydrogenchloride; oxygen; In water; acetonitrile; at 60 ℃; for 3.5h; Green chemistry;

DOI:10.1039/c7gc00556c

Reference yield:

1,2-dichloro-benzene (95-50-1) → 3,4-dichlorobenzenesulphonyl chloride (98-31-7)

Guidance literature:

With chlorosulphuric acid; chloroform;

DOI:10.1021/ja01860a014

Reference yield:

→ 3,4-dichlorobenzenesulphonyl chloride (98-31-7)

Guidance literature:

With phosphorus pentachloride;

upstream raw materials:

1,2-dichloro-benzene

chlorosulfonic acid

chloroform

sulfuric acid

Downstream raw materials:

bis-(3,4-dichloro-phenyl)-sulfone

3,4-dichlorobenzene-1-sulfonamide

N-(2-amino-phenyl)-3,4-dichloro-benzenesulfonamide

C₂₄H₂₁Cl₂FN₂O₅S₂

Refernces

• 1、 -. "Substituted Disulfonamide Compounds". Page/Page column 43. . Retrieved 2010/06/22.
• 2、 Ludwig, Miroslav,Pytela, Oldrich,Kalfus, Karel,Vecera, Miroslav. "DISSOCIATION OF SUBSTITUTED BENZENESULPHONAMIDES IN WATER, METHANOL AND ETHANOL". . p. 1182 - 1192. Retrieved 2007/10/02.