2,4,6-trifluorobenzenesulfonyl Chloride

Base Information

• Chemical Name: 2,4,6-trifluorobenzenesulfonyl Chloride
• CAS No.: 220239-64-5
• Molecular Formula: C6H2 Cl F3 O2 S
• Molecular Weight: 230.595
• Hs Code.: 2904909090
• European Community (EC) Number: 638-891-9
• DSSTox Substance ID: DTXSID00380319
• Wikidata: Q82170511
• Mol file: 220239-64-5.mol

Synonyms:2,4,6-trifluorobenzenesulfonyl Chloride;220239-64-5;2,4,6-trifluorobenzene-1-sulfonyl chloride;2,4,6-trifluorobenzenesulphonyl chloride;MFCD01091015;SCHEMBL1500909;DTXSID00380319;XINCBNCLCIQIJM-UHFFFAOYSA-N;BBL101456;STL555252;AKOS000150168;2,4,6-trifluorophenylsulfonyl chloride;AT11566;PS-10810;2,4,6-trifluorobenzene-1-sulfonylchloride;sulfuryl chloride;1,3,5-trifluorobenzene;FT-0676271;EN300-51242;2,4,6-Trifluorobenzenesulfonyl chloride, 97%;A815842;2,4,6-Trifluorobenzenesulfonyl chloride, AldrichCPR;J-014429

Chemical Property of 2,4,6-trifluorobenzenesulfonyl Chloride

Chemical Property:

• Vapor Pressure: 0.153mmHg at 25°C
• Refractive Index: 1.499
• Boiling Point: 222.1°Cat760mmHg
• Flash Point: 88.2°C
• PSA: 42.52000
• Density: 1.662g/cm³
• LogP: 3.11220
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Moisture Sensitive
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 229.9416127
• Heavy Atom Count: 13
• Complexity: 264

Purity/Quality:

99% ^*data from raw suppliers

2,4,6-Trifluorobenzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 14-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4,6-trifluorobenzenesulfonyl Chloride

There total 1 articles about 2,4,6-trifluorobenzenesulfonyl 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:

1,3,5-trifluorobenzene (372-38-3) → 2,4,6-trifluorobenzenesulphonyl chloride (220239-64-5)

Guidance literature:

With chlorosulfonic acid; Multistep reaction;

DOI:10.1016/S0960-894X(99)00276-0

Reference yield: 98.0%

sarcosine t-butyl ester hydrochloride + 2,4,6-trifluorobenzenesulphonyl chloride (220239-64-5) → tert-butyl 2-(2,4,6-trifluoro-N-methylphenylsulfonamido)acetate

Guidance literature:

sarcosine t-butyl ester hydrochloride; With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 0 ℃; for 0.166667h; Inert atmosphere;

2,4,6-trifluorobenzenesulphonyl chloride; In acetonitrile; at 0 - 20 ℃; for 1h; Inert atmosphere;

DOI:10.1080/14756366.2020.1871336

Reference yield: 95.0%

indole (120-72-9) + 2,4,6-trifluorobenzenesulphonyl chloride (220239-64-5) → 3-((2,4,6-trifluorophenyl)thio)-1H-indole

Guidance literature:

With 1,2,2,3,4,4-hexamethylphosphetane 1-oxide; phenylsilane; In 1,4-dioxane; at 40 ℃; Schlenk technique; Sealed tube; Inert atmosphere;

DOI:10.1002/anie.201813919

upstream raw materials:

1,3,5-trifluorobenzene

Downstream raw materials:

2,4,6-trifluoro-N-{2-[3'-(4-fluoro-phenyl)-2,3,5,6-tetrahydro-[1,2']bipyrazinyl-4-yl]-ethyl}-N-methyl-benzenesulfonamide

t-butyl (2,4-dimethoxybenzyl)[(2,4,6-trifluorophenyl)sulfonyl]carbamate

(R)-N-(1-(1-ethyl-6-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl)ethyl)-2,4,6-trifluorobenzenesulfonamide

2,4,6-trifluoro-N-(5-(5-(2-methyl-1-oxoisoindolin-5-yl)thiophen-2-yl)pyridin-3-yl)benzenesulfonamide

Refernces