1-Heptanone, 1-[1,1'-biphenyl]-4-yl-
Basic information
- CAS
59662-27-0- Standard SMILES
CCCCCCC(=O)c1ccc(-c2ccccc2)cc1- InChIKey
YCPKHSFFVZYFMP-UHFFFAOYSA-N- Molecular formula
- C19H22O
- Average molar mass
- 266.4 g/mol
- Monoisotopic mass
- 266.16706532
Names & identifiers
- Preferred name
- 1-Heptanone, 1-[1,1'-biphenyl]-4-yl-
- IUPAC
- 1-(4-phenylphenyl)heptan-1-one
- English name
- p-Heptanoylbiphenyl
- Molecular formula
- C19H22O
- Molecular weight
- 266.38
Names & synonyms
p-Heptanoylbiphenyl1-Heptanone, 1-[1,1'-biphenyl]-4-yl-1-Heptanone, 1-(1,1'-biphenyl)-4-yl-DTXSID4069345RefChem:432939DTXCID00426644-Heptanoylbiphenyl59662-27-01-(4-phenylphenyl)heptan-1-one1-([1,1'-Biphenyl]-4-yl)heptan-1-one1-[1,1'-Biphenyl]-4-yl-1-heptanone1-Biphenyl-4-yl-heptan-1-one
Show more names
1-(4-Biphenylyl)-1-heptanone1-(Biphenyl-4-yl)-1-heptanone4-N-HEXANOYLBIPHENYL (Related Reference)
SCHEMBL13670588MFCD00143347AKOS0159178741-[1,1'-Biphenyl]-4-yl-1-heptanone #CS-0435530D90934F0468261-[1,1 inverted exclamation marka-Biphenyl]-4-yl-1-heptanone
Database identifiers
- CAS
59662-27-0- PubChem CID
- 108796
- DTXSID
DTXSID4069345- Nikkaji
- J236.193K
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 269
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Physicochemical properties
- Melting point
- 85 to · 85.0 to 88.0 °C
- EPA Substance Registry System
- 1 · 1-Heptanone, 1-[1,1'-biphenyl]-4-yl- (59662-27-0)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Heptanone, 1-[1,1'-biphenyl]-4-yl-: INACTIVE
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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