4-(TRIFLUOROMETHYLSULPHINYL)NITROBENZENE

Base Information

• Chemical Name: 4-(TRIFLUOROMETHYLSULPHINYL)NITROBENZENE
• CAS No.: 394-60-5
• Molecular Formula: C7H4F3NO3S
• Molecular Weight: 239.175
• Hs Code.: 2930909090
• Mol file: 394-60-5.mol

Synonyms:Sulfoxide,p-nitrophenyl trifluoromethyl (7CI,8CI);p-Nitrophenyl trifluoromethylsulfoxide;

Chemical Property of 4-(TRIFLUOROMETHYLSULPHINYL)NITROBENZENE

Chemical Property:

• Vapor Pressure: 0.438mmHg at 25°C
• Melting Point: 59-60 °C
• Refractive Index: 1.528
• Boiling Point: 309.1 °C at 760 mmHg
• Flash Point: 140.7 °C
• PSA: 82.10000
• Density: 1.64 g/cm³
• LogP: 3.61110

Purity/Quality:

99% ^*data from raw suppliers

4-(Trifluoromethylsulfinyl)nitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22
• Safety Statements: 22-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(TRIFLUOROMETHYLSULPHINYL)NITROBENZENE

There total 4 articles about 4-(TRIFLUOROMETHYLSULPHINYL)NITROBENZENE 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: 95.0%

p-nitrophenyl trifluoromethyl sulfide (403-66-7) → 1-nitro-4-[(R,S)-(trifluoromethyl)sulfinyl]benzene (394-60-5)

Guidance literature:

With hydrogenchloride; antimonypentachloride; chlorine; at 20 ℃; for 4h;

Reference yield: 56.0%

4-nitro-benzenesulfinyl chloride (13088-17-0) + (trifluoromethyl)trimethylsilane (81290-20-2) → 1-nitro-4-[(R,S)-(trifluoromethyl)sulfinyl]benzene (394-60-5)

Guidance literature:

With tris(dimethylamino)sulfonium trimethylsilyldifluoride; In tetrahydrofuran; 30 min at -25 deg C, then slowly warmed up to 10 deg C (total time 2 h);

DOI:10.1016/0022-1139(94)03124-I

Reference yield:

phenyl trifluoromethylsulfide (456-56-4) → 1-nitro-4-[(R,S)-(trifluoromethyl)sulfinyl]benzene (394-60-5) + 2,4-dinitro-1-((trifluoromethyl)sulfinyl)benzene

Guidance literature:

With Nitrogen dioxide; ozone; In dichloromethane; at -10 ℃; Title compound not separated from byproducts;

DOI:10.1055/s-2002-31950

upstream raw materials:

p-nitrophenyl trifluoromethyl sulfide

4-nitro-benzenesulfinyl chloride

(trifluoromethyl)trimethylsilane

phenyl trifluoromethylsulfide

Downstream raw materials:

C₈H₄F₆N₂O₄S₂

4-aminophenyl trifluoromethylsulfoxide

S-(trifluoromethyl)-4-nitrophenylphenylsulfonium triflate

(3-Amino-phenyl)-trifluormethyl-sulfoxid

Refernces

• 1、 Nose, Masatoshi,Suzuki, Hitomi. "Convenient one-pot procedure for converting aryl sulfides to nitroaryl sulfones". . p. 1065 - 1071. Retrieved 2007/10/03.
• 2、 Kondratenko, N. V.,Movchun, V. N.,Yagupol'skii, L. M.. "ARYL TRIFLUOROMETHYL SULFOXIDES". . p. 1005 - 1006. Retrieved 2007/10/02.