4-Nitro-1-phenoxy-2-(trifluoromethyl)benzene
Basic information
- CAS
6969-95-5- Standard SMILES
O=[N+]([O-])c1ccc(Oc2ccccc2)c(C(F)(F)F)c1- InChIKey
VISZAKUAHVQLIE-UHFFFAOYSA-N- Molecular formula
- C13H8F3NO3
- Average molar mass
- 283.2 g/mol
- Monoisotopic mass
- 283.0456276
Names & identifiers
- Preferred name
- 4-Nitro-1-phenoxy-2-(trifluoromethyl)benzene
- IUPAC
- 4-nitro-1-phenoxy-2-(trifluoromethyl)benzene
- English name
- 4-Nitro-1-phenoxy-2-(trifluoromethyl)benzene
- Molecular formula
- C13H8F3NO3
- Molecular weight
- 283.2
Names & synonyms
4-nitro-1-phenoxy-2-(trifluoromethyl)benzene6969-95-5DTXSID30290477RefChem:294979DTXCID50241623MFCD28347989NSC68884SCHEMBL8298771SCHEMBL27675773SCHEMBL27735237VISZAKUAHVQLIE-UHFFFAOYSA-NTCA70394
Show more names
Benzene, 4-nitro-1-phenoxy-2-(trifluoromethyl)-
NSC 68884NSC-68884AKOS030229216AS-8660CS-0454969
Database identifiers
- CAS
6969-95-5- PubChem CID
- 249971
- DTXSID
DTXSID30290477- Nikkaji
- J2.442.846J
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Boiling point
- 113 · 113-123 °C(Press: 0.02 Torr)
- Density
- 1.378 · 1.378±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2909309090 · 2909309090
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
- hs_code
- 2909309090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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