2-(Trifluoromethoxy)benzenesulfonyl chloride

Base Information

• Chemical Name: 2-(Trifluoromethoxy)benzenesulfonyl chloride
• CAS No.: 103008-51-1
• Molecular Formula: C7H4ClF3O3S
• Molecular Weight: 260.621
• Hs Code.: 29189900
• European Community (EC) Number: 624-794-9
• DSSTox Substance ID: DTXSID80380418
• Wikidata: Q72511279
• Mol file: 103008-51-1.mol

Synonyms:103008-51-1;2-(Trifluoromethoxy)benzenesulfonyl chloride;2-(trifluoromethoxy)benzene-1-sulfonyl chloride;2-(Trifluoromethoxy)benzenesulphonyl chloride;Benzenesulfonyl chloride, 2-(trifluoromethoxy)-;2-(trifluoromethoxy)phenylsulfonyl chloride;SCHEMBL122293;DTXSID80380418;MFCD00052316;AKOS001368987;CS-W004090;2-trifluoromethoxybenzenesulfonyl chloride;2-trifluoromethoxybenzenesulphonyl chloride;2-trifluoromethoxyphenyl sulfonyl chloride;AS-14987;2-trifluoromethoxy-benzenesulfonyl chloride;2-trifluoromethoxy-benzenesulphonyl chloride;o-(trifluoromethoxy)benzenesulfonyl chloride;2-(trifluoromethoxy)benzene sulfonyl chloride;AM20050518;FT-0608937;[2-(trifluoromethoxy)phenyl]sulfonyl chloride;2-(trifluoromethoxy)benzene-1-sulfonylchloride;2-(trifluoromethyloxy)benzenesulfonyl chloride;EN300-27076;2-(Trifluoromethoxy)benzenesulfonyl chloride, 97%;A800661;J-000856;F0001-0081;Z237480332

Chemical Property of 2-(Trifluoromethoxy)benzenesulfonyl chloride

Chemical Property:

• Vapor Pressure: 0.024mmHg at 25°C
• Melting Point: 27-31 °C(lit.)
• Refractive Index: 1.4825
• Boiling Point: 262 °C at 760 mmHg
• Flash Point: 112.3 °C
• PSA: 51.75000
• Density: 1.565 g/cm³
• LogP: 3.59350
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• 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: 308

Purity/Quality:

99% ^*data from raw suppliers

2-(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

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)OC(F)(F)F)S(=O)(=O)Cl
• Uses: 2-(Trifluoromethoxy)benzenesulfonyl chloride is a useful research chemical.

Technology Process of 2-(Trifluoromethoxy)benzenesulfonyl chloride

There total 2 articles about 2-(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:

2-trifluoromethoxy aniline (1535-75-7) → 2-(trifluoromethoxy)benzenesulfonyl chloride (103008-51-1)

Guidance literature:

With hydrogenchloride; methyl nitrite; sulfur dioxide; copper dichloride; In methanol; 1,2-dichloro-ethane; at 0 - 10 ℃; for 3.5h;

Reference yield:

→ 2-(trifluoromethoxy)benzenesulfonyl chloride (103008-51-1)

Guidance literature:

Reference yield: 95.3%

tert-butylamine (75-64-9) + 2-(trifluoromethoxy)benzenesulfonyl chloride (103008-51-1) → N-tert-butyl-2-trifluoromethoxy-benzenesulfonamide (200054-62-2)

Guidance literature:

With triethylamine; In acetonitrile; at 5 - 20 ℃; for 16h;

upstream raw materials:

2-trifluoromethoxy aniline

Downstream raw materials:

5-methyl-3-(2-trifluoromethoxyphenylsulfonyloxy)phenol

(+/-)-S-methyl-S-phenyl-N-[2-(trifluoromethoxy)benzenesulfonyl]sulfoximine

(+/-)-S-carboxymethyl-S-phenyl-N-[2-(trifluoromethoxy)benzenesulfonyl]sulfoximine

(+/-)-S-phenyl-S-(3-phenyl-2-propenyloxycarboxymethyl)-N-[2-(trifluoromethoxy)benzenesulfonyl]sulfoximine

Refernces

• 1、 -. "Process for the preparation of aromatic or heteroaromatic sulphonyl chlorides". Page column 5. . Retrieved 2008/06/13.