4-(Trifluoromethoxy)benzenesulfonyl chloride

Base Information

• Chemical Name: 4-(Trifluoromethoxy)benzenesulfonyl chloride
• CAS No.: 94108-56-2
• Molecular Formula: C7H4ClF3O3S
• Molecular Weight: 260.621
• Hs Code.: 29093090
• European Community (EC) Number: 302-397-9
• UNII: EPX2F6S77T
• DSSTox Substance ID: DTXSID00240580
• Nikkaji Number: J318.741A
• Wikidata: Q72511282
• Mol file: 94108-56-2.mol

Synonyms:4-(Trifluoromethoxy)benzenesulfonyl chloride;94108-56-2;4-(trifluoromethoxy)benzene-1-sulfonyl chloride;4-(Trifluoromethoxy)benzenesulphonyl chloride;Benzenesulfonyl chloride, 4-(trifluoromethoxy)-;C7H4ClF3O3S;p-(Trifluoromethoxy)benzenesulphonyl chloride;EPX2F6S77T;4-(Trifluoromethoxy)phenylsulfonyl chloride;EINECS 302-397-9;4-Trifluoromethoxyphenylsulfonyl chloride;4-(trifluoromethoxy)benzensulfonylchloride;4-trifluoromethoxy-benzenesulfonylchloride;p-(trifluoromethoxy)benzenesulfonyl chloride;UNII-EPX2F6S77T;SCHEMBL65853;C7-H4-Cl-F3-O3-S;DTXSID00240580;BBL027983;MFCD00042408;STK505658;AKOS000200610;AM62600;4-trifluoromethoxybenzensulfonyl chloride;4-trifluoromethoxy benzenesulfonylchloride;4-trifluoromethoxybenzenesulfonyl chloride;p-trifluoromethoxybenzenesulfonyl chloride;4-trifluoromethoxybenzenesulphonyl chloride;4-trifluoromethoxyphenyl sulfonyl chloride;AS-15031;4(trifluoromethoxy)benzenesulfonyl chloride;4-(trifluoromethoxy)benzenesulfonylchloride;4-trifluoromethoxy-benzenesulfonyl chloride;4-(Trifluoromethoxy)benzensulphonyl chloride;4-(trifluoromethoxy)-benzenesulfonyl chloride;4-(Trifluoromethoxy)benzene sulfonyl chloride;4-(trifluoromethoxy)benzene-sulfonyl chloride;4-trifluoro methoxy-benzene sulfonyl chloride;4-trifluoromethoxybenzene-1-sulfonyl chloride;CS-0070246;FT-0616877;T2146;4-(trifluoromethyloxy)benzenesulfonyl chloride;EN300-09800;4-(Trifluoromethoxy)benzenesulfonyl chloride #;F16177;4-[(trifluoromethyl)oxy]benzenesulfonyl chloride;4-(Trifluoromethoxy)benzenesulfonyl chloride, 98%;A844814;Z56347073;F2167-0063

Chemical Property of 4-(Trifluoromethoxy)benzenesulfonyl chloride

Chemical Property:

• Appearance/Colour: Clear colorless to pale yellow liquid
• Vapor Pressure: 0.23 psi ( 20 °C)
• Refractive Index: n20/D 1.479(lit.)
• Boiling Point: 271.189 °C at 760 mmHg
• Flash Point: 117.811 °C
• PSA: 51.75000
• Density: 1.565 g/cm³
• LogP: 3.59350
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Moisture Sensitive
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 259.9521773
• Heavy Atom Count: 15
• Complexity: 300

Purity/Quality:

98% ^*data from raw suppliers

4-(Trifluoromethoxy)benzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1OC(F)(F)F)S(=O)(=O)Cl

Technology Process of 4-(Trifluoromethoxy)benzenesulfonyl chloride

There total 2 articles about 4-(Trifluoromethoxy)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: 66.0%

4-trifluoromethoxyphenylboronic acid (139301-27-2) → 4-(trifluoro-methoxy)benzene-1-sulfonyl chloride (94108-56-2)

Guidance literature:

With phenylchlorosulfate; C₄₃H₄₃NO₃PPdS; sodium carbonate; In acetone; at 60 ℃; for 12h; Inert atmosphere; Sealed tube;

DOI:10.1021/ja405949a

Reference yield:

→ 4-(trifluoro-methoxy)benzene-1-sulfonyl chloride (94108-56-2)

Guidance literature:

Reference yield: 100.0%

tert-butylamine (75-64-9) + 4-(trifluoro-methoxy)benzene-1-sulfonyl chloride (94108-56-2) → N-(tert-butyl)-4-(trifluoromethoxy)benzene-sulfonamide

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; for 3h;

upstream raw materials:

4-trifluoromethoxyphenylboronic acid

Refernces

• 1、 -. "Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists". . . Retrieved 2008/06/13.
• 2、 -. "METALLOPROTEASE INHIBITORS". . . Retrieved 2008/06/13.