CAS 42916-73-4 1-Pentanone, 1-[1,1'-biphenyl]-4-yl- (HCID 3084882)

Substructure search Find similar structures

Basic information

CAS: 42916-73-4
Standard SMILES: CCCCC(=O)c1ccc(-c2ccccc2)cc1
InChIKey: JXQDHVJDFYUJOK-UHFFFAOYSA-N
Molecular formula: C17H18O
Average molar mass: 238.32 g/mol
Monoisotopic mass: 238.1357652

Names & identifiers

Preferred name: 1-Pentanone, 1-[1,1'-biphenyl]-4-yl-
IUPAC: 1-(4-phenylphenyl)pentan-1-one
English name: 1-[1,1'-Biphenyl]-4-yl-1-pentanone
Molecular formula: C17H18O
Molecular weight: 238.32

Names & synonyms

p-Valeroylbiphenyl1-Pentanone, 1-[1,1'-biphenyl]-4-yl-1-Pentanone, 1-(1,1'-biphenyl)-4-yl-DTXSID6068434RefChem:435387DTXCID804019142916-73-41-([1,1'-Biphenyl]-4-yl)pentan-1-one1-(4-phenylphenyl)pentan-1-one1-[1,1'-biphenyl]-4-yl-1-pentanone4-Valerylbiphenyl4-n-pentanoylbiphenyl

Show more names

Benzopentanonediphenylpentanone4-Pentanoylbiphenyl1-[1,1'-BIPHENYL]-4-1-[1,1'-biphenyl]-4-yl-1-pentanon

1-{[1,1'-BIPHENYL]-4-YL}PENTAN-1-ONESCHEMBL66069791-Biphenyl-4-yl-pentan-1-oneAKOS0093400501-(BIPHENYL-4-YL)PENTAN-1-ONESR-01000388875SR-01000388875-1

Database identifiers

CAS: 42916-73-4
PubChem CID: 3084882
DTXSID: DTXSID6068434
Nikkaji: J422.472H

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 244

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical structure

Physicochemical properties

Melting point: 76 · 76-78 °C
Boiling point: 368.7 · 368.7±11.0 °C(Predicted)
Density: 1.01 · 1.010±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
CAS DataBase Reference: 42916 · 42916-73-4(CAS DataBase Reference)
EPA Substance Registry System: 1 · 1-Pentanone, 1-[1,1'-biphenyl]-4-yl- (42916-73-4)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317-H319
Precautionary statements: 280 · P280-P305+P351+P338
TSCA: TSCA listed