4-fluoro-2-(trifluoromethyl)benzenesulfonyl Chloride

Base Information

• Chemical Name: 4-fluoro-2-(trifluoromethyl)benzenesulfonyl Chloride
• CAS No.: 176225-09-5
• Molecular Formula: C7H3 Cl F4 O2 S
• Molecular Weight: 262.612
• Hs Code.: 2904909090
• European Community (EC) Number: 679-241-4
• DSSTox Substance ID: DTXSID40372132
• Wikidata: Q72477285
• Mol file: 176225-09-5.mol

Synonyms:176225-09-5;4-fluoro-2-(trifluoromethyl)benzenesulfonyl Chloride;4-fluoro-2-(trifluoromethyl)benzene-1-sulfonyl chloride;4-Fluoro-2-(trifluoromethyl)-benzenesulfonyl chloride;4-FLUORO-2-(TRIFLUOROMETHYL)BENZENESULPHONYL CHLORIDE;2-(Chlorosulphonyl)-4-fluorobenzotrifluoride;MFCD01091000;SCHEMBL695151;4-Fluoro-2-(trifluoromethyl)benzene-1-sulfonylchloride;Benzenesulfonyl chloride, 4-fluoro-2-(trifluoromethyl)-;AMY3022;DTXSID40372132;BBL102468;CK1140;STL556271;AKOS005254578;PS-10857;CS-0157081;F1124;FT-0678385;EN300-68770;A812162;4-fluoro-2-(trifluoromethyl)phenylsulfonyl chloride;4-fluoro-2-trifluoromethyl-benzene sulfonyl chloride;4-fluoro-2-trifluoromethyl-benzenesulfonyl chloride;J-515328;4-Fluoro-2-(trifluoromethyl)benzenesulfonyl chloride, 97%

Chemical Property of 4-fluoro-2-(trifluoromethyl)benzenesulfonyl Chloride

Chemical Property:

• Vapor Pressure: 0.0125mmHg at 25°C
• Melting Point: 54-56°C
• Refractive Index: 1.467
• Boiling Point: 76°C/0.5mm
• Flash Point: 116.3°C
• PSA: 42.52000
• Density: 1.603g/cm³
• LogP: 3.85280
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Moisture Sensitive
• Solubility.: soluble in Methanol
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 261.9478409
• Heavy Atom Count: 15
• Complexity: 321

Purity/Quality:

99% ^*data from raw suppliers

4-Fluoro-2-(trifluoromethyl)benzenesulfonyl Chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,C
• Statements: 34
• Safety Statements: 36/37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)C(F)(F)F)S(=O)(=O)Cl

Technology Process of 4-fluoro-2-(trifluoromethyl)benzenesulfonyl Chloride

There total 1 articles about 4-fluoro-2-(trifluoromethyl)benzenesulfonyl 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: 67.0%

4-fluoro-2-(trifluoromethyl)aniline (393-39-5) → 2-(trifluoromethyl)-4-fluorobenzenesulfonyl chloride (176225-09-5)

Guidance literature:

4-fluoro-2-(trifluoromethyl)aniline; With acetic acid; sodium nitrite; In water; acetonitrile; at 0 ℃; for 0.333333h;

With sulfur dioxide; In water; acetonitrile; for 0.166667h;

With copper dichloride; In water; acetonitrile; at 20 ℃;

Reference yield: 89.0%

2-(trifluoromethyl)-4-fluorobenzenesulfonyl chloride (176225-09-5) + 2,6-difluoro-N1-(3-(9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl)pyridin-2-yl)benzene-1,3-diamine (1380228-73-8) → N-(2,4-difluoro-3-(3-(9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl)pyridin-2-ylamino)phenyl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide (1380228-90-9)

Guidance literature:

With pyridine; In dichloromethane; at 50 ℃; for 2h;

Reference yield: 79.0%

2-(trifluoromethyl)-4-fluorobenzenesulfonyl chloride (176225-09-5) → bis[4-fluoro-2-(trifluoromethyl)phenyl] disulfide

Guidance literature:

With tungsten(VI) chloride; sodium iodide; In acetonitrile;

DOI:10.1016/j.bmcl.2009.11.114

upstream raw materials:

4-fluoro-2-(trifluoromethyl)aniline

Downstream raw materials:

1,1-dimethylethyl [3-({[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl}amino)propyl]carbamate

4-(2,2,2-trifluoroethoxy)-2-trifluoromethylbenzenethiol

4-(2,2,2-trifluoroethoxy)-2-trifluoromethyl-1-tritylsulfanylbenzene

(2S,4R)-1-(1-methylcyclopropanecarbonyl)-4-[4-(2,2,2-trifluoroethoxy)-2-trifluoromethylphenylsulfanyl]pyrrolidine-2-carboxylic acid (1-cyanocyclopropyl)amide

Refernces