1,4-Dibenzoylbenzene
Basic information
- CAS
3016-97-5- Standard SMILES
O=C(c1ccccc1)c1ccc(C(=O)c2ccccc2)cc1- InChIKey
NPENBPVOAXERED-UHFFFAOYSA-N- Molecular formula
- C20H14O2
- Average molar mass
- 286.3 g/mol
- Monoisotopic mass
- 286.09937969
Names & identifiers
- Preferred name
- 1,4-Dibenzoylbenzene
- IUPAC
- (4-benzoylphenyl)-phenylmethanone
- English name
- 1,4-Dibenzoylbenzene
- Molecular formula
- C20H14O2
- Molecular weight
- 286.32
Names & synonyms
1,4-Dibenzoylbenzene3016-97-54-BenzoylbenzophenoneMethanone, 1,4-phenylenebis[phenyl-p-DibenzoylbenzeneDTXSID70184245EINECS 221-155-2(4-Benzoyl-phenyl)-phenyl-methanoneMethanone, 1,4-phenylenebis(phenyl-Methanone, 1,4-phenylenebis*phenyl-RefChem:73199DTXCID80106736
Show more names
NSC 631643TerephthalophenoneTIMTEC-BB SBB007797p-Benzoylbenzophenone1,4-Dibenzoylbenzene>1,4-Dibenzoylbenzene 99%
221-155-2NPENBPVOAXERED-UHFFFAOYSA-N1,4-Phenylenebis(phenylmethanone)(4-benzoylphenyl)-phenylmethanone(4-benzoylphenyl)(phenyl)methanoneMFCD00014087NSC631643TimTec1_004772
Database identifiers
- CAS
3016-97-5- PubChem CID
- 76395
- DTXSID
DTXSID70184245- EC Number
- 221-155-2
- Nikkaji
- J124.950I
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 343
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Physicochemical properties
- Melting point
- 163 · 163-166 °C(lit.)
- Boiling point
- 457.2 · 457.2±28.0 °C(Predicted)
- Density
- 1.165 · 1.165±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Almost white
- BRN
- 1880440 · 1880440
- InChI
- 1S/C20H14O2/c21-19(15-7-3-1-4-8-15)17-11-13-18(14-12-17)20(22)16-9-5-2-6-10-16/h1-14H
- InChIKey
- NPENBPVOAXERED-UHFFFAOYSA-N
- SMILES
- O=C(c1ccccc1)c2ccc(cc2)C(=O)c3ccccc3
- CAS DataBase Reference
- 3016 · 3016-97-5(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2917.39.7000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
9 records
Compound notes
Loading…