2-Chloro-4-nitro-1-(3-(trifluoromethyl)phenoxy)benzene
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Basic information
- CAS
40718-13-6- Standard SMILES
O=[N+]([O-])c1ccc(Oc2cccc(C(F)(F)F)c2)c(Cl)c1- InChIKey
CKJFVJCOFJYOOX-UHFFFAOYSA-N- Molecular formula
- C13H7ClF3NO3
- Average molar mass
- 317.65 g/mol
- Monoisotopic mass
- 317.0066553
Names & identifiers
- Preferred name
- 2-Chloro-4-nitro-1-(3-(trifluoromethyl)phenoxy)benzene
- IUPAC
- 2-chloro-4-nitro-1-[3-(trifluoromethyl)phenoxy]benzene
- English name
- Benzene, 2-chloro-4-nitro-1-[3-(trifluoroMethyl)phenoxy]-
- Molecular formula
- C13H7ClF3NO3
- Molecular weight
- 317.65
Names & synonyms
40718-13-62-Chloro-4-nitro-1-(3-(trifluoromethyl)phenoxy)benzene2-chloro-4-nitro-1-[3-(trifluoromethyl)phenoxy]benzeneBenzene, 2-chloro-4-nitro-1-[3-(trifluoromethyl)phenoxy]-MFCD22665828NSC55564Benzene,2-chloro-4-nitro-1-[3-(trifluoromethyl)phenoxy]-NCIOpen2_007493SCHEMBL27096924DTXSID60288387CS-M1568NSC-55564
Show more names
AKOS037650156CS-14372SY557250F789226
Database identifiers
- CAS
40718-13-6- PubChem CID
- 244585
- DTXSID
DTXSID60288387- Nikkaji
- J2.867.006K
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Boiling point
- 328.1 · 328.1±42.0 °C(Predicted)
- Density
- 1.461 · 1.461±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
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
- 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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