CAS 39768-86-0 alpha-(4-Fluorophenyl)-4-(trifluoromethyl)benzenemethanol (HCID 579773)

Substructure search Find similar structures

Basic information

CAS: 39768-86-0
Standard SMILES: OC(c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1
InChIKey: XYMORTGEMACCDO-UHFFFAOYSA-N
Molecular formula: C14H10F4O
Average molar mass: 270.22 g/mol
Monoisotopic mass: 270.06677782

Names & identifiers

Preferred name: alpha-(4-Fluorophenyl)-4-(trifluoromethyl)benzenemethanol
IUPAC: (4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methanol
English name: 4-Fluoro-4'-(trifluoromethyl)benzhydrol
Molecular formula: C14H10F4O
Molecular weight: 270.22

Names & synonyms

39768-86-0alpha-(4-Fluorophenyl)-4-(trifluoromethyl)benzenemethanolDTXSID8012153174-FLUORO-4'-(TRIFLUOROMETHYL)BENZHYDROLRefChem:555261DTXCID501646660668-020-8(4-Fluorophenyl)[4-(trifluoromethyl)phenyl]methanol4'Trifluoromethylphenyl-4-fluorobenzhydrolSCHEMBL1350356MFCD00034183AKOS010332917

Show more names

α-(4-Fluorophenyl)-4-(trifluoromethyl)benzenemethanolBenzenemethanol, α-(4-fluorophenyl)-4-(trifluoromethyl)-

(4-Fluorophenyl) [4-(trifluoromethyl)phenyl]methanol(4-Fluorophenyl)[4-(trifluoromethyl)phenyl]methanol #a-(4-Fluorophenyl)-4-(trifluoromethyl)benzenemethanol|A-(4-Fluorophenyl)-4-(trifluoromethyl)benzenemethanolI+/--(4-Fluorophenyl)-4-(trifluoromethyl)benzenemethanolBenzenemethanol, alpha-(4-fluorophenyl)-4-(trifluoromethyl)-

Database identifiers

CAS: 39768-86-0
PubChem CID: 579773
DTXSID: DTXSID801215317

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 276

Physicochemical properties

Boiling point: 329.5 · 329.5±37.0 °C(Predicted)
Density: 1.319 · 1.319±0.06 g/cm3(Predicted)
pka: 13.03 · 13.03±0.20(Predicted)
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 302 · H302-H400
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P273-P391-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.