2-([1,1'-Biphenyl]-4-yloxy)-5-(trifluoromethyl)-aniline
Completing data — refresh the page later to see the latest
Basic information
- CAS
904253-69-6- Standard SMILES
Nc1cc(C(F)(F)F)ccc1Oc1ccc(-c2ccccc2)cc1- InChIKey
SHPKCCVIJLYQFA-UHFFFAOYSA-N- Molecular formula
- C19H14F3NO
- Average molar mass
- 329.3 g/mol
- Monoisotopic mass
- 329.10274856
Names & identifiers
- Preferred name
- 2-([1,1'-Biphenyl]-4-yloxy)-5-(trifluoromethyl)-aniline
- IUPAC
- 2-(4-phenylphenoxy)-5-(trifluoromethyl)aniline
- English name
- 2-([1,1'-BIPHENYL]-4-YLOXY)-5-(TRIFLUOROMETHYL)-ANILINE
- Molecular formula
- C19H14F3NO
- Molecular weight
- 329.32
Names & synonyms
904253-69-62-([1,1'-Biphenyl]-4-yloxy)-5-(trifluoromethyl)-aniline2-([1,1'-Biphenyl]-4-yloxy)-5-(trifluoromethyl)aniline2-(4-phenylphenoxy)-5-(trifluoromethyl)aniline[2-(biphenyl-4-yloxy)-5-(trifluoromethyl)phenyl]amine hydrochloride2-(biphenyl-4-yloxy)-5-(trifluoromethyl)aniline hydrochlorideBenzenamine, 2-([1,1'-biphenyl]-4-yloxy)-5-(trifluoromethyl)-2-(4-phenylphenoxy)-5-(trifluoromethyl)phenylamine2-{[1,1'-BIPHENYL]-4-YLOXY}-5-(TRIFLUOROMETHYL)ANILINESHPKCCVIJLYQFA-UHFFFAOYSA-NALBB-026146MFCD01117584
Show more names
SBB072874STK665447AKOS003235324ST4134837CS-03304052-(biphenyl-4-yloxy)-5-(trifluoromethyl)aniline[2-(biphenyl-4-yloxy)-5-(trifluoromethyl)phenyl]amine2-[([1,1'-biphenyl]-4-yl)oxy]-5-(trifluoromethyl)aniline--hydrogen chloride (1/1)
Database identifiers
- CAS
904253-69-6- PubChem CID
- 16762934
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Boiling point
- 412.2 · 412.2±45.0 °C(Predicted)
- Density
- 1.261 · 1.261±0.06 g/cm3(Predicted)
- pka
- 3.37 · 3.37±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…