Basic information
- CAS
370-47-8- Standard SMILES
O=[N+]([O-])c1cccc(SC(F)(F)F)c1- InChIKey
LCYLLPJRCOQTHG-UHFFFAOYSA-N- Molecular formula
- C7H4F3NO2S
- Average molar mass
- 223.17 g/mol
- Monoisotopic mass
- 222.99148403
Names & identifiers
- Preferred name
- Benzene, 1-nitro-3-((trifluoromethyl)thio)-
- IUPAC
- 1-nitro-3-(trifluoromethylsulfanyl)benzene
- English name
- 1-nitro-3-[(trifluoromethyl)thio]benzene
- Molecular formula
- C7H4F3NO2S
- Molecular weight
- 223.17
Names & synonyms
370-47-8Trifluoromethylthio-3-nitrobenzene1-NITRO-3-[(TRIFLUOROMETHYL)THIO]BENZENEEINECS 206-727-1Benzene, 1-nitro-3-((trifluoromethyl)thio)-Benzene, 1-nitro-3-[(trifluoromethyl)thio]-1-Nitro-3-((trifluoromethyl)thio)benzeneRefChem:562526206-727-13-(Trifluoromethylthio)nitrobenzenem-Nitrophenyl trifluoromethyl sulfide3849-68-1
Show more names
1-(Trifluoromethylthio)-3-nitrobenzene
1-nitro-3-(trifluoromethylsulfanyl)benzeneMFCD282917941-NITRO-3-[(TRIFLUOROMETHYL)SULFANYL]BENZENE(3-nitrophenyl)(trifluoromethyl)sulfaneAN984JK7A2SCHEMBL8431813DTXSID00599003-Nitrophenyl trifluoromethyl sulfide
Database identifiers
- CAS
370-47-8- PubChem CID
- 67787
- DTXSID
DTXSID0059900- UNII
- AN984JK7A2
- EC Number
- 206-727-1
- Nikkaji
- J213.561B
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- FDA UNII
- 984 JK7A2 · AN984JK7A2
- EPA Substance Registry System
- m-Nitrophenyl trifluoromethyl sulfide (370-47-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-nitro-3-[(trifluoromethyl)thio]-: INACTIVE
Suppliers1 total
ASTATECH[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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