2-((E)-{[4-(trifluoromethyl)phenyl]imino}methyl)phenol
Basic information
- CAS
25165-80-4- Standard SMILES
Oc1ccccc1C=Nc1ccc(C(F)(F)F)cc1- InChIKey
GTJJEUWREOQQJC-UHFFFAOYSA-N- Molecular formula
- C14H10F3NO
- Average molar mass
- 265.23 g/mol
- Monoisotopic mass
- 265.07144843
Names & identifiers
- Preferred name
- 2-((E)-{[4-(trifluoromethyl)phenyl]imino}methyl)phenol
- IUPAC
- 2-[[4-(trifluoromethyl)phenyl]iminomethyl]phenol
- English name
- Phenol,2-[[[4-(trifluoromethyl)phenyl]imino]methyl]-
- Molecular formula
- C14H10F3NO
- Molecular weight
- 265.23
Names & synonyms
2-((E)-{[4-(trifluoromethyl)phenyl]imino}methyl)phenol1220247-60-825165-80-42-(((4-(Trifluoromethyl)phenyl)imino)methyl)phenol(E)-2-(((4-(Trifluoromethyl)phenyl)imino)methyl)phenolMFCD01111699NSC119177SCHEMBL11507839SCHEMBL12548548DTXSID60566056GTJJEUWREOQQJC-GIJQJNRQSA-NSTK900248
Show more names
Phenol,2-[[[4-(trifluoromethyl)phenyl]imino]methyl]-
AKOS004906541AKOS005648469NSC-119177BS-103472-[[4-(trifluoromethyl)phenyl]iminomethyl]phenol2-[(Z)-{[4-(trifluoromethyl)phenyl]imino}methyl]phenol2-((E)-{[4-(Trifluoromethyl)phenyl]imino}methyl)phenol>90%2-((E)-{[4-(Trifluoromethyl)phenyl]imino}methyl)phenol; >90%
Database identifiers
- CAS
25165-80-4- PubChem CID
- 273753
- DTXSID
DTXSID60566056- Nikkaji
- J1.096.436I
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Melting point
- 104 °C · 104 °C
- Boiling point
- 358.814 · 358.814±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.222 · 1.222±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.321 · 8.321±0.30(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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