3,4,5-Trifluorobenzenesulfonyl chloride

Base Information

• Chemical Name: 3,4,5-Trifluorobenzenesulfonyl chloride
• CAS No.: 351003-43-5
• Molecular Formula: C6H2ClF3O2S
• Molecular Weight: 230.595
• Hs Code.: 29049090
• European Community (EC) Number: 624-447-1
• DSSTox Substance ID: DTXSID40381163
• Wikidata: Q72510852
• Mol file: 351003-43-5.mol

Synonyms:3,4,5-Trifluorobenzenesulfonyl chloride;351003-43-5;3,4,5-Trifluorobenzene-1-sulfonyl chloride;MFCD03094559;Benzenesulfonyl chloride, 3,4,5-trifluoro-;3,4,5-trifluorobenzenesulfonylchloride;SCHEMBL282282;AMY2985;DTXSID40381163;HSEHKULCGSMHAE-UHFFFAOYSA-N;BBL100708;CK1138;STL554502;AKOS005254991;3,4,5-trifluorophenylsulfonyl chloride;DS-14879;SY075115;3,4,5-Trifluorobenzene-1-sulfonylchloride;CS-0127976;FT-0678382;EN300-85294;3,4,5-Trifluorobenzenesulfonyl chloride, 97%;J-019923

Chemical Property of 3,4,5-Trifluorobenzenesulfonyl chloride

Chemical Property:

• Vapor Pressure: 0.0433mmHg at 25°C
• Melting Point: 76-77 °C
• Refractive Index: n20/D 1.4970(lit.)
• Boiling Point: 246.1 °C at 760 mmHg
• Flash Point: 102.7 °C
• PSA: 42.52000
• Density: 1.867 g/cm³
• LogP: 3.11220
• Storage Temp.: Flammables area
• 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

3,4,5-Trifluorobenzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi,F
• Statements: 10-34-14-11
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,4,5-Trifluorobenzenesulfonyl chloride

There total 2 articles about 3,4,5-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: 83.0%

3,4,5-trifluorodiazobenzene → 3,4,5-trifluorobenzene-1-sulfonyl chloride (351003-43-5)

Guidance literature:

With thionyl chloride; copper(l) chloride; In water; at 0 - 20 ℃; for 1.13333h;

Reference yield:

→ 3,4,5-trifluorobenzene-1-sulfonyl chloride (351003-43-5)

Guidance literature:

Reference yield: 92.0%

3,4,5-trifluorobenzene-1-sulfonyl chloride (351003-43-5) → 3,4,5-trifluorobenzenesulfonamide (913472-55-6)

Guidance literature:

With ammonium hydroxide; In water; at 20 ℃; for 2h;

DOI:10.1021/jacs.0c05383

Downstream raw materials:

4,4,4-trifluoro-2-(3,4,5-trifluoro-benzenesulfonylamino)-3-trifluoromethyl-butyric acid ethyl ester

C₂₅H₁₄F₆N₂O₄S₂

N,N'-(1,4-phenylene)bis(3,4,5-trifluorobenzenesulfonamide)

(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl 3,5-difluoro-4-hydrazinylbenzenesulfonate

Refernces

• 1、 -. "HUMAN ADAM-10 INHIBITORS". Page 44-45. . Retrieved 2008/06/13.