860-39-9

Basic information

• Product Name: 4,4'-BIS(TRIFLUOROMETHYL)-2,2'-DINITRODIPHENYL DISULFIDE
• Synonyms: bis(2-nitro-4-trifluoromethylphenyl)disulfide;disulfide,bis(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl);disulfide,bis[2-nitro-4-(trifluoromethyl)phenyl];usafma-9;BIS(A,A,A-TRIFLUORO-2-NITRO-P-TOLYL) DISULFIDE;4,4'-DI(TRIFLUOROMETHYL)-2,2-DINITRODIPHENYL DISULPHIDE;4,4'-BIS(TRIFLUOROMETHYL)-2,2'-DINITRODIPHENYL DISULFIDE;4,4-BIS(TRIFLUOROMETHYL)-2,2'-DINITRODIPHENYL DISULFIDE
• CAS NO: 860-39-9
• Molecular Formula: C₁₄H₆F₆N₂O₄S₂
• Molecular Weight: 444.33
• Mol File: 860-39-9.mol
• Article Data: 7

Chemical Properties

• Melting Point: 157-160°C
• Boiling Point: 426.6±45.0 °C(Predicted)
• Appearance: /
• Density: 1.6554 (estimate)
• CAS DataBase Reference: 4,4'-BIS(TRIFLUOROMETHYL)-2,2'-DINITRODIPHENYL DISULFIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 4,4'-BIS(TRIFLUOROMETHYL)-2,2'-DINITRODIPHENYL DISULFIDE(860-39-9)
• EPA Substance Registry System: 4,4'-BIS(TRIFLUOROMETHYL)-2,2'-DINITRODIPHENYL DISULFIDE(860-39-9)

Safety Data

• Hazard Codes: T
• Statements: 23/24/25
• Safety Statements: 36/37/39-45
• RIDADR: 2811
• HazardClass: TOXIC
• Hazardous Substances Data: 860-39-9(Hazardous Substances Data)

Usage

Uses

Bis(α,α,α-trifluoro-2-nitro-p-tolyl) Disulfide is used in preparation of ((phenylthio)indolyl)alkylamides as Poxvirus inhibitor for treatment of vaccinia virus infections.

Upstream product

• 121-17-5 2-chloro-3-nitro-5-trifluoromethylbenzene 

Downstream Products

• 398-99-2 2-methyl-5-(trifluoromethyl)benzo[d]thiazole 
• 577-61-7 2-nitro-4-(trifluoromethyl)benzenesulfonamide 
• 393-14-6 2-nitro-4-trifluoromethyl-benzenesulfonic acid methyl ester 
• 19406-49-6 2-amino-4-trifluoromethylthiophenol 
• 7038-40-6 6,6′-disulfanediylbis(3-(trifluoromethyl)aniline) 
• 4274-38-8 2-amino-4-(trifluoromethyl)benzenethiol hydrochloride 
• 728-56-3 (2-nitro-4-trifluoromethyl-phenylsulfanyl)-acetic acid 
• 1513-44-6 2-amino-4-trifluoromethyl-benzenesulfonic acid 
• 53104-54-4 C₁₃H₆F₃N₃O₆S 
• 4875-01-8 4-Hydroxy-6-trifluormethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin 
• 1338360-54-5 2-nitro-1-(propylsulfanyl)-4-(trifluoromethyl)benzene 
• 1338360-55-6 1-(butylsulfanyl)-2-nitro-4-(trifluoromethyl)benzene 

Relevant articles and documents

Conformational preferences and supramolecular aggregation in 2-nitrophenylthiolates: Disulfides and thiosulfonates

In each of the asymmetrically substituted disulfides 2-nitro-4′-methyldiphenyl disulfide, C13H11NO2S2 (1), 2-nitro-4′-chlorodiphenyl disulfide, C12H8ClNO2S2 (2), 2,4-dinitro-4′-methyldiphenyl disulfide, C13H10N2O4S2 (3), and 2,4-dinitrophenyl-2′-methoxycarbonylmethyl disulfide, C9H8N2O6S2 (4), and in both of the symmetrically substituted disulfides bis(2-nitrophenyl) disulfide, C12H8N2O4S2 (5), and bis(2-nitro-4-trifluoromethylphenyl) disulfide, C14H6F6N2O4S2 (6), the 2-nitro groups are essentially coplanar with the adjacent aryl ring and the S atom remote from the nitrated aryl ring is also essentially coplanar and transoid to the nitro group. In S-(2-nitrophenyl) 2-nitrobenzene thiosulfonate, C12H8N2O6S2 (7), which contains three independent molecules in the asymmetric unit, all six of the independent nitro groups are twisted out of the plane of the adjacent aryl rings. The crystal structures of (1)-(3) contain isolated molecules, that of (4) contains centrosymmetric dimers held together by C-H...O hydrogen bonds, while in the structures of (5)-(7), respectively, the C-H...O hydrogen bonds generate one-, two-and three-dimensional arrays. The interplay between molecular conformation and supramolecular aggregation is discussed.

Synthesis of 6-trifluoromethyl-4h-1,4-benzothiazines as possible anticancer agents

The synthesis of 6-trifluoromethyl-4H-1,4-benzothiazines is reported by the condensation and oxidative cyclization of 2-amino-4-trifluoromethylbenzenethiol hydrochloride with β-di- carbonyl compounds. All the newly synthesized compounds have been characte

Fluorinated tricyclic neuroleptics with prolonged action: 3-Fluoro-8-trifluoromethyl derivatives of 10(4-methylpiperazino)- and 10[4-(2-hydroxyethyl)piperazino]-10,11-dihydrodibenzo-[b,f] thiepin

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