4-Fluoro-2-methylbenzenesulfonyl chloride

Base Information

• Chemical Name: 4-Fluoro-2-methylbenzenesulfonyl chloride
• CAS No.: 7079-48-3
• Molecular Formula: C7H6 Cl F O2 S
• Molecular Weight: 208.641
• Hs Code.: 2904909090
• European Community (EC) Number: 627-540-5
• DSSTox Substance ID: DTXSID60381024
• Wikidata: Q72474438
• Mol file: 7079-48-3.mol

Synonyms:4-Fluoro-2-methylbenzenesulfonyl chloride;7079-48-3;4-fluoro-2-methylbenzene-1-sulfonyl chloride;4-fluoro-2-methyl-benzenesulfonyl Chloride;MFCD03094390;4-Fluoro-2-methylbenzenesulfonylchloride;4-Fluoro-2-methylbenzenesulphonyl chloride;4-Fluoro-2-methylbenzene-1-sulfonylchloride;Benzenesulfonyl chloride, 4-fluoro-2-methyl-;SCHEMBL181280;DTXSID60381024;XLPGWKNCWMFHOD-UHFFFAOYSA-N;BBL104376;GEO-04567;STL558634;AKOS000200709;FS-4185;PB48416;4-Fluoro-2-methylphenylsulfonyl chloride;SY167693;A9314;CS-0071271;FT-0618458;4-fluoro-2-methylbenzene-1-sulphonyl chloride;EN300-28742;D94714;4-Fluoro-2-methylbenzenesulfonyl chloride, 97%;F3308-2770;Z271138350

Chemical Property of 4-Fluoro-2-methylbenzenesulfonyl chloride

Chemical Property:

• Vapor Pressure: 0.00539mmHg at 25°C
• Refractive Index: n20/D 1.5370
• Boiling Point: 283.5 ºC at 760 mmHg
• Flash Point: 125.3ºC
• PSA: 42.52000
• Density: 1.433
• LogP: 3.14240
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Moisture Sensitive
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 207.9761065
• Heavy Atom Count: 12
• Complexity: 247

Purity/Quality:

99% ^*data from raw suppliers

4-Fluoro-2-methylbenzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)F)S(=O)(=O)Cl

Technology Process of 4-Fluoro-2-methylbenzenesulfonyl chloride

There total 2 articles about 4-Fluoro-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: 75.0%

m-Fluorotoluene (352-70-5) → 4-fluoro-2-methylbenzene-1-sulphonyl chloride (7079-48-3)

Guidance literature:

With chlorosulfonic acid; at 0 ℃;

Reference yield:

→ 4-fluoro-2-methylbenzene-1-sulphonyl chloride (7079-48-3)

Guidance literature:

Reference yield: 97.0%

4-fluoro-2-methylbenzene-1-sulphonyl chloride (7079-48-3) → 4-fluoro-2-methyl-5-nitrobenzenesulphonyl chloride (1158953-95-7)

Guidance literature:

With nitric acid; sulfuric acid; at 0 ℃; for 1.08333h;

upstream raw materials:

m-Fluorotoluene

Downstream raw materials:

4-Fluoro-2-methyl-benzenesulfonic acid 2,4-dimethyl-phenyl ester

4-fluoro-2-methyl-1-benzenesulfonamide

5-fluoro-1,1,3-trioxo-2,3-dihydrobenzo[d]isothiazine

1,1-dioxo-2,3-dihydrobenzo[d]isothiazol-5-yl fluoride

Refernces

• 1、 Pal, Manojit,Veeramaneni, Venugopal Rao,Kumar, Sanjeev,Lohray, Vidya B.,Yeleswarapu, Koteswar Rao. "Synthesis of fused sulfonamide (1,1-dioxoisothiazole)substituted 1,5-diarylpyrazoles as cyclooxygenase inhibitors". . p. 1095 - 1101. Retrieved 2007/10/03.
• 2、 Nizamuddin,Giri,Gupta. "Synthesis of some aryl fluorobenzene sulphonates and hydroxy diaryl sulphones as potential fungicides". . p. 365 - 366. Retrieved 2007/10/02.