3-Chloro-4-methylbenzenesulfonyl chloride

Base Information

• Chemical Name: 3-Chloro-4-methylbenzenesulfonyl chloride
• CAS No.: 42413-03-6
• Molecular Formula: C7H6Cl2O2S
• Molecular Weight: 225.095
• Hs Code.: 29049090
• European Community (EC) Number: 412-890-1,627-430-7
• NSC Number: 90118
• DSSTox Substance ID: DTXSID50962462
• Nikkaji Number: J28.772E
• Wikidata: Q72453654
• Mol file: 42413-03-6.mol

Synonyms:3-Chloro-4-methylbenzenesulfonyl chloride;42413-03-6;3-CHLORO-4-METHYLBENZENE-1-SULFONYL CHLORIDE;3-chloro-4-methylbenzenesulphonyl chloride;2-chloro-p-toluenesulfochloride;3-Chloro-4-methylphenylsulfonyl chloride;EC 412-890-1;MFCD00203987;NSC90118;NCIOpen2_006167;SCHEMBL242381;DTXSID50962462;2-chloro-p-toluenesulfonyl chloride;STR02681;BBL037537;CK2501;NSC 90118;NSC-90118;STK502404;AKOS000150854;AM62603;CS-W013047;3-chloro-4-methylbenzensulfonyl chloride;BP-10509;2-chloro-toluene-4-sulfonic acid chloride;3-chloro-4-methyl-benzenesulfonyl chloride;FT-0615416;3-chloranyl-4-methyl-benzenesulfonyl chloride;EN300-39543;3-Chloro-4-methylbenzenesulfonyl chloride, 97%;A825891;3-CHLORO-4-METHYLBENZENE-1-SULFONYLCHLORIDE;J-200055;F9995-2521

Chemical Property of 3-Chloro-4-methylbenzenesulfonyl chloride

Chemical Property:

• Vapor Pressure: 0.00146mmHg at 25°C
• Melting Point: 34-38 °C(lit.)
• Refractive Index: 1.559
• Boiling Point: 305.71 °C at 760 mmHg
• Flash Point: 138.688 °C
• PSA: 42.52000
• Density: 1.459 g/cm³
• LogP: 3.65670
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Moisture Sensitive
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 223.9465560
• Heavy Atom Count: 12
• Complexity: 245

Purity/Quality:

99.9% ^*data from raw suppliers

3-Chloro-4-methylbenzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, C
• Hazard Codes: C,Xi
• Statements: 34-43-52/53
• Safety Statements: 23-26-36/37/39-45-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)S(=O)(=O)Cl)Cl
• Uses: 3-Chloro-4-methylbenzenesulfonyl chloride may be used in the synthesis of 2-chloro 4-methylsulfonamide benzylamine.

Technology Process of 3-Chloro-4-methylbenzenesulfonyl chloride

There total 6 articles about 3-Chloro-4-methylbenzenesulfonyl 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:

sodium 3-chloro-4-methylbenzenesulfonate → 3-chloro-4-methylbenzenesulfonyl chloride (42413-03-6)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; for 6h; Heating / reflux;

Reference yield:

p-toluenesulfonyl chloride (98-59-9) → 3-chloro-4-methylbenzenesulfonyl chloride (42413-03-6)

Guidance literature:

With antimony(III) chloride; Chlorierung;

Reference yield:

→ 3-chloro-4-methylbenzenesulfonyl chloride (42413-03-6)

Guidance literature:

With chlorosulfonic acid;

upstream raw materials:

3-chloro-4-methylbenzenesulfonic acid

p-toluenesulfonyl chloride

Downstream raw materials:

4-methyl-3,5-dichlorobenzenesulfonyl chloride

N-(benzo[d]thiazol-2-yl)-3-chloro-4-methylbenzenesulfonamide

3-chloro-4-methyl-N-(thiophen-2-yl)benzenesulfonamide

N-(3-(benzo[d]thiazol-2-yl)-4-methylthiophen-2-yl)-3-chloro-4-methylbenzenesulfonamide

Refernces

• 1、 -. "Estradiol prodrugs". Page/Page column 7. . Retrieved 2008/06/13.
• 2、 -. "Estriol and estetrol prodrugs". Page/Page column 7-8. . Retrieved 2008/06/13.