3,4-Difluorobenzenesulfonyl chloride

Base Information

• Chemical Name: 3,4-Difluorobenzenesulfonyl chloride
• CAS No.: 145758-05-0
• Molecular Formula: F2C6H3SO2Cl
• Molecular Weight: 212.604
• Hs Code.: 29049090
• European Community (EC) Number: 626-645-3
• DSSTox Substance ID: DTXSID30371699
• Wikidata: Q72462461
• Mol file: 145758-05-0.mol

Synonyms:3,4-Difluorobenzenesulfonyl chloride;145758-05-0;3,4-Difluorobenzene-1-Sulfonyl Chloride;3,4-Difluorobenzenesulphonyl chloride;3,4-difluoro-benzenesulfonyl chloride;Benzenesulfonyl chloride, 3,4-difluoro-;3,4-Difluorobenzenesulfonylchloride;3,4-difluorobenzene sulfonyl chloride;3,4-Difluorobenzenesulphonylchloride;SCHEMBL68413;DTXSID30371699;3,4-difluorophenylsulfonylchloride;FSGLUBQENACWCC-UHFFFAOYSA-N;3,4-difluorobenzensulfonyl chloride;3,4-difluorophenylsulfonyl chloride;3,4-difluorobenzene sulfonylchloride;BBL013794;MFCD00153120;STK500490;3,4-di-fluorophenyl sulfonyl chloride;AKOS000309917;AM62494;CS-W014270;3,4-Difluorobenzene-1-SulfonylChloride;AS-18791;3,4-Difluorobenzenesulfonyl chloride, 97%;A3174;D2941;FT-0614278;EN300-01909;J-511153;F1967-0686;Z104480384;3,4-Difluoro-benzenesulfonyl chloride

Chemical Property of 3,4-Difluorobenzenesulfonyl chloride

Chemical Property:

• Vapor Pressure: 0.000345mmHg at 25°C
• Refractive Index: n20/D 1.515(lit.)
• Boiling Point: 258.1 °C at 760 mmHg
• Flash Point: 109.9 °C
• PSA: 42.52000
• Density: 1.58 g/cm³
• LogP: 2.97310
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Moisture Sensitive
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 211.9510345
• Heavy Atom Count: 12
• Complexity: 249

Purity/Quality:

99% ^*data from raw suppliers

3,4-Difluorobenzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1S(=O)(=O)Cl)F)F
• Uses: 3,4-Difluorobenzenesulfonyl chloride may be used to synthesize 1-benzyl-3-bromo-2-(3,4-difluorophenyl)indole and 1-benzyl-2-(3,4-difluorophenyl)indole.

Technology Process of 3,4-Difluorobenzenesulfonyl chloride

There total 2 articles about 3,4-Difluorobenzenesulfonyl 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: 94.0%

ortho-difluorobenzene (367-11-3) → 3,4-difluorobenzenesulfonyl chloride (145758-05-0)

Guidance literature:

With chlorosulfonic acid; at 0 - 80 ℃; for 1h;

DOI:10.1039/c6ra13034h

Reference yield:

→ 3,4-difluorobenzenesulfonyl chloride (145758-05-0)

Guidance literature:

Reference yield: 100.0%

3,4-difluorobenzenesulfonyl chloride (145758-05-0) → 3,4-difluorobenzenesulfinic acid (748731-75-1)

Guidance literature:

With water; sodium hydroxide; sodium sulfite; In 1,4-dioxane; at 20 ℃; pH=14;

upstream raw materials:

ortho-difluorobenzene

Downstream raw materials:

3,4-difluoro-1-benzenesulfonamide

3-fluoro-4-hydrazino-1-benzenesulfonamide

3,4-difluoro-N,N-dimethylbenzenesulfonamide

3,4-difluorobenzenesulfinic acid

Refernces

• 1、 -. "1- [4- (SULFONYL) -PHENYL] -5- (BENZYL) -IH-I, 2, 4-TRIAZOL DERIVATIVES AS INHIBITORS OF CARBONIC ANHYDRASE FOR TREATING GLAUCOMA OR OCULAR HYPERTENSION". Page/Page column 33-34. . Retrieved 2008/12/06.
• 2、 Pal, Manojit,Madan, Manjula,Padakanti, Srinivas,Pattabiraman, Vijaya R.,Kalleda, Srinivas,Vanguri, Akhila,Mullangi, Ramesh,Mamidi, N. V. S. Rao,Casturi, Seshagiri R.,Malde, Alpeshkumar,Gopalakrishnan,Yeleswarapu, Koteswar R.. "Synthesis and cyclooxygenase-2 inhibiting property of 1,5-diarylpyrazoles with substituted benzenesulfonamide moiety as pharmacophore: Preparation of sodium salt for injectable formulation". . p. 3975 - 3984. Retrieved 2007/10/03.