3-Chloro-2-methylbenzenesulfonyl chloride

Base Information

• Chemical Name: 3-Chloro-2-methylbenzenesulfonyl chloride
• CAS No.: 80563-86-6
• Molecular Formula: C7H6Cl2O2S
• Molecular Weight: 225.095
• Hs Code.: 29049090
• European Community (EC) Number: 626-743-6
• DSSTox Substance ID: DTXSID90335050
• Nikkaji Number: J307.785C
• Wikidata: Q82101158
• Mol file: 80563-86-6.mol

Synonyms:3-Chloro-2-methylbenzenesulfonyl chloride;80563-86-6;3-chloro-2-methylbenzene-1-sulfonyl chloride;3-Chloro-2-Methylbenzenesulphonyl chloride;MFCD00052198;3-Chloro-2-Methyl-Benzenesulfonyl Chloride;benzenesulfonyl chloride, 3-chloro-2-methyl- (9ci);3-CHLORO-2-METHYLBENZENESULFONYLCHLORIDE;SCHEMBL350041;DTXSID90335050;6-Chloro-o-toluenesulfonyl chloride;AMY12313;BBL017937;STK502399;AKOS005171005;3-chloro-2-methylbenzenesulfonylchoride;3-chloro-2-methylphenylsulfonyl chloride;2-methyl-3-chlorobenzenesulfonyl chloride;AS-40757;BP-11138;3-chloro-2-methylbenzene-1-sulfonylchloride;3-Chloro-2-methylbenzenesulfonyl chloride #;FT-0615353;2-[(4-METHYLPHENYL)THIO]PROPANOICACID;EN300-39481;3-chloro-2-methyl benzene-1-sulfonyl chloride;3-Chloro-2-methyl-benzene sulfonic acid chloride;3-Chloro-2-methylbenzenesulfonyl chloride, 97%;A839947;3-CHLORO-2-METHYL BENZENE SULPHONYL CHLORIDE;F2167-0060;Z278195060

Chemical Property of 3-Chloro-2-methylbenzenesulfonyl chloride

Chemical Property:

• Appearance/Colour: white to light yellow crystals
• Vapor Pressure: 0.000963mmHg at 25°C
• Melting Point: 71-74 °C(lit.)
• Refractive Index: 1.559
• Boiling Point: 312.6 °C at 760 mmHg
• Flash Point: 142.9 °C
• PSA: 42.52000
• Density: 1.458 g/cm³
• LogP: 3.65670
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Moisture Sensitive
• XLogP3: 2.9
• 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% ^*data from raw suppliers

3-Chloro-2-methylbenzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=C1Cl)S(=O)(=O)Cl
• Uses: 3-Chloro-2-methylbenzenesulfonyl Chloride is used in preparation of benzisoxazole sulfonamides useful in treatment of diseases. 3-Chloro-2-methylbenzenesulfonyl chloride may be used in the synthesis of ethyl [6-(3-chloro-2-methyl-benzenesulfonyl-amino)-pyridin-2-yl]-acetate and ethyl 2-(2-{[(3-chloro-2-methylphenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate.

Technology Process of 3-Chloro-2-methylbenzenesulfonyl chloride

There total 2 articles about 3-Chloro-2-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:

magnesium chloride hexahydrate + 3-chloro-2-methylbenzenamine (87-60-5) → 3-chloro-2-methylbenzenesulfonyl chloride (80563-86-6)

Guidance literature:

With concentrated aqueous hydrochloric acid; sulfur dioxide; sodium nitrite; In water; acetic acid;

Reference yield:

Toluene-2-sulfonyl chloride (133-59-5) → 3-chloro-2-methylbenzenesulfonyl chloride (80563-86-6)

Guidance literature:

With antimony(III) chloride; chlorine; at 75 - 90 ℃;

Reference yield: 92.0%

3-chloro-2-methylbenzenesulfonyl chloride (80563-86-6) + 2-methyl-6-amino-quinoxaline (4188-17-4) → 3-chloro-N-(2-methyl-quinoxalin-6-yl)-2-methyl-benzenesulfonamide

Guidance literature:

3-chloro-2-methylbenzenesulfonyl chloride; With pyridine; In dichloromethane; for 0.0833333h;

2-methyl-6-amino-quinoxaline; In dichloromethane; at 20 ℃; for 5h;

upstream raw materials:

Toluene-2-sulfonyl chloride

3-chloro-2-methylbenzenamine

Downstream raw materials:

2-chloro-6-sulfotoluene

2-methylchlorobenzene

1-[2-(3-Chloro-2-methyl-benzenesulfonylamino)-acetyl]-piperidine-4-carboxylic acid ethyl ester

ethyl 2-(2-{[(3-chloro-2-methylphenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate

Refernces