Disulfide, bis[2-nitro-4-(trifluoromethyl)phenyl]

Base Information

• Chemical Name: Disulfide, bis[2-nitro-4-(trifluoromethyl)phenyl]
• CAS No.: 860-39-9
• Molecular Formula: C14H6 F6 N2 O4 S2
• Molecular Weight: 444.335
• Hs Code.: 2930909090
• European Community (EC) Number: 864-247-3
• NSC Number: 677457,77119
• DSSTox Substance ID: DTXSID8061218
• Nikkaji Number: J42.232K
• Wikidata: Q81989371
• ChEMBL ID: CHEMBL120110
• Mol file: 860-39-9.mol

Synonyms:860-39-9;2-Nitro-4-trifluoromethylphenyl disulfide;USAF MA-9;Disulfide, bis[2-nitro-4-(trifluoromethyl)phenyl];2-nitro-1-[[2-nitro-4-(trifluoromethyl)phenyl]disulfanyl]-4-(trifluoromethyl)benzene;NSC 77119;BRN 2230031;Bis(2-nitro-4-trifluoromethylphenyl) disulfide;Bis[2-nitro-4-(trifluoromethyl)phenyl] disulfide;NSC77119;Disulfide, bis(2-nitro-4-(trifluoromethyl)phenyl);NSC677457;NSC-677457;DISULFIDE, BIS(2-NITRO-alpha,alpha,alpha-TRIFLUORO-p-TOLYL);2-nitro-1-{[2-nitro-4-(trifluoromethyl)phenyl]disulfanyl}-4-(trifluoromethyl)benzene;4-06-00-02215 (Beilstein Handbook Reference);4,4'-Di(trifluoromethyl)-2,2-dinitrodiphenyl disulphide;4,4'-Bis(trifluoromethyl)-2,2'-dinitrodiphenyl disulfide;Disulfide, bis(alpha,alpha,alpha-trifluoro-2-nitro-p-tolyl);Disulfide, bis(.alpha.,.alpha.,.alpha.-trifluoro-2-nitro-p-tolyl);C14H6F6N2O4S2;di2-nitro-4-(trifluoromethyl)phenyl disulfide;CHEMBL120110;SCHEMBL8534010;4,4'-Bis(trifluoromethyl)-2,2'-dinitrodiphenyldisulfide;DTXSID8061218;MFCD00018043;NSC-77119;AKOS001026800;WLN: FXFFR CNW DSSR BNW DXFFF;C14-H6-F6-N2-O4-S2;BS-24262;LS-63067;UPCMLD0ENAT0400-3218:001;2-Nitro-4-(trifluoromethyl)phenyl disulfide;CS-0207454;FT-0633034;bis(2-nitro-4-trifluoromethylphenyl)disulfide;Disulfide,.alpha.,.alpha.-trifluoro-p-tolyl];bis-(2-nitro-4-trifluoromethylphenyl) disulfide;A841534;{Bis[2-nitro-4-(trifluoromethyl)phenyl]} disulfide;1,1'-dithiobis[2-nitro-4-(trifluoromethyl)benzene];1,2-bis(2-nitro-4-(trifluoromethyl)phenyl)disulfane;Disulfide, {bis[2-nitro-4-(trifluoromethyl)phenyl]};Disulfide,.alpha.,.alpha.-trifluoro-2-nitro-p-tolyl);Z56756624;4,4'-Bis(trifluoromethyl)-2,2'-dinitrodiphenyldisulphide;4,4'-Bis(trifluoromethyl)-2,2-dinitrodiphenyl disulphide;4,4-BIS(TRIFLUOROMETHYL)-2,2-DINITRODIPHENYLDISULFIDE;Disulfide, {bis[2-nitro-.alpha.,.alpha.,.alpha.-trifluoro-p-tolyl]};Hydroxy(2-((2-(hydroxy(oxido)amino)-4-(trifluoromethyl)phenyl)dithio)-5-(trifluoromethyl)phenyl)azane oxide

Chemical Property of Disulfide, bis[2-nitro-4-(trifluoromethyl)phenyl]

Chemical Property:

• Melting Point: 157-160°C
• Boiling Point: 426.6±45.0 °C(Predicted)
• PSA: 142.24000
• Density: 1.6554 (estimate)
• LogP: 7.38640
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 3
• Exact Mass: 443.96731800
• Heavy Atom Count: 28
• Complexity: 530

Purity/Quality:

98%min ^*data from raw suppliers

4,4'-Bis(trifluoromethyl)-2,2'-dinitrodiphenyldisulfide 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 23/24/25
• Safety Statements: 36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Aromatics (Nitrogen)
• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
• 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.

Technology Process of Disulfide, bis[2-nitro-4-(trifluoromethyl)phenyl]

There total 4 articles about Disulfide, bis[2-nitro-4-(trifluoromethyl)phenyl] 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: 99.0%

2-chloro-3-nitro-5-trifluoromethylbenzene (121-17-5) → bis(2-nitro-4-trifluoromethylphenyl) disulfide (860-39-9)

Guidance literature:

With potassium cyanocarbonimidodithioate; In N,N-dimethyl-formamide; at 80 - 90 ℃; for 24h;

Reference yield: 50.0%

2-chloro-3-nitro-5-trifluoromethylbenzene (121-17-5) → bis(2-nitro-4-trifluoromethylphenyl) disulfide (860-39-9) + 2-nitro-4-(trifluoromethyl)benzenethiol (14371-82-5)

Guidance literature:

With sodium sulfide; In carbon disulfide; butanone; for 12h; Ambient temperature;

Reference yield:

2-chloro-3-nitro-5-trifluoromethylbenzene (121-17-5) → bis(2-nitro-4-trifluoromethylphenyl) thioether (365-55-9) + bis(2-nitro-4-trifluoromethylphenyl) disulfide (860-39-9)

Guidance literature:

With sodium sulfide; In ethanol; water; for 1h; Heating;

DOI:10.1135/cccc19810118

upstream raw materials:

2-chloro-3-nitro-5-trifluoromethylbenzene

Downstream raw materials:

2-methyl-5-(trifluoromethyl)benzo[d]thiazole

2-nitro-4-(trifluoromethyl)benzenesulfonamide

2-nitro-4-trifluoromethyl-benzenesulfonic acid methyl ester

2-amino-4-trifluoromethylthiophenol

Refernces

• 1、 -. "Process for preparing chloromethyl thiazoles or oxazoles, and intermediates for use therein". . . Retrieved 2008/06/13.
• 2、 Ruminski, Peter G.,Suba, Lydia A.,D'Amico, John J.. "SYNTHESIS OF HETEROCYCLIC COMPOUNDS AND NEW ROUTES FOR THE PREPARATION OF CERTAIN DITHIOCARBONATES AND SULFIDES FROM POTASSIUM CYANODITHIOIMIDOCARBONATE". . p. 335 - 344. Retrieved 2007/10/02.