1-(1,1'-Biphenyl)-4-yl-2-phenylethan-1-one

HCID 74817

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 2001-23-2
Standard SMILES: O=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIKey: FNOSNNPSTLUBPC-UHFFFAOYSA-N
Molecular formula: C20H16O
Average molar mass: 272.3 g/mol
Monoisotopic mass: 272.12011513

Names & identifiers

Preferred name: 1-(1,1'-Biphenyl)-4-yl-2-phenylethan-1-one
IUPAC: 2-phenyl-1-(4-phenylphenyl)ethanone
English name: 1-[1,1'-biphenyl]-4-yl-2-phenylethan-1-one
Molecular formula: C20H16O
Molecular weight: 272.34

Names & synonyms

2001-23-21-[1,1'-biphenyl]-4-yl-2-phenylethan-1-oneEINECS 217-888-21-(1,1'-Biphenyl)-4-yl-2-phenylethan-1-oneDTXSID40173823RefChem:419162DTXCID4096314217-888-21-([1,1'-Biphenyl]-4-yl)-2-phenylethanone1-(biphenyl-4-yl)-2-phenylethanone2-phenyl-1-(4-phenylphenyl)ethanone1-(4-Biphenylyl)-2-phenylethanone

Show more names

1-([1,1'-biphenyl]-4-yl)-2-phenylethylone

MFCD00228055Ethanone, 1-[1,1'-biphenyl]-4-yl-2-phenyl-1-{[1,1'-biphenyl]-4-yl}-2-phenylethan-1-one1-biphenyl-4-yl-2-phenylethanone1-BIPHENYL-4-YL-2-PHENYL-ETHANONE1-([1,1'-Biphenyl]-4-yl)-2-phenylethan-1-one4-Phenyldeoxybenzoin1-[[1,1'-Biphenyl]-4-yl]-2-phenylethanone

Database identifiers

CAS: 2001-23-2
PubChem CID: 74817
DTXSID: DTXSID40173823
UNII: MHJ2G8A42S
EC Number: 217-888-2
Nikkaji: J199.811K

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 315

Physicochemical properties

Melting point: 139 °C · 139 °C
Boiling point: 436.6 · 436.6±14.0 °C(Predicted)
Density: 1.102 · 1.102±0.06 g/cm3(Predicted)
Symbol(GHS): 9 · GHS09
Signal word: Warning
Hazard statements: 410 · H410
Precautionary statements: 273 · P273-P391-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, 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.