2-(3-Trifluoromethylphenyl)phenol
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Basic information
- CAS
893738-60-8- Standard SMILES
Oc1ccccc1-c1cccc(C(F)(F)F)c1- InChIKey
URNHLNKPWUHBIO-UHFFFAOYSA-N- Molecular formula
- C13H9F3O
- Average molar mass
- 238.2 g/mol
- Monoisotopic mass
- 238.06054939
Names & identifiers
- Preferred name
- 2-(3-Trifluoromethylphenyl)phenol
- IUPAC
- 2-[3-(trifluoromethyl)phenyl]phenol
- English name
- 3'-(TRIFLUOROMETHYL)[1,1'-BIPHENYL]-2-OL
- Molecular formula
- C13H9F3O
- Molecular weight
- 238.21
Names & synonyms
893738-60-82-(3-TRIFLUOROMETHYLPHENYL)PHENOL3'-(Trifluoromethyl)-[1,1'-biphenyl]-2-ol3'-(Trifluoromethyl)[1,1'-biphenyl]-2-ol2-[3-(trifluoromethyl)phenyl]phenolMFCD06802853SCHEMBL2048141SCHEMBL16719324SCHEMBL16719325SCHEMBL30689246DTXSID70602530URNHLNKPWUHBIO-UHFFFAOYSA-N
Show more names
AKOS BAR-1755
ALBB-036764AKOS004116732CS-0365777
Database identifiers
- CAS
893738-60-8- PubChem CID
- 20100301
- DTXSID
DTXSID70602530
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Boiling point
- 303.3 · 303.3±42.0 °C(Predicted)
- Density
- 1.276 · 1.276±0.06 g/cm3(Predicted)
- pka
- 9.42 · 9.42±0.35(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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