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Identification
Name Benzophenone
Accession Number DB01878 (EXPT00794)
Type small molecule
Groups experimental
Description

Benzophenone is the organic compound. Substituted benzophenones such as oxybenzone and dioxybenzone are used in sunscreen.
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms
Benzoylbenzene
Diphenyl ketone
Diphenylmethanone
Phenyl ketone
Salts Not Available
Brand names Not Available
Brand mixtures Not Available
Categories
  • Photosensitizing Agents
CAS number 119-61-9
Weight Average: 182.2179
Monoisotopic: 182.073164942
Chemical Formula C13H10O
InChI Key InChIKey=RWCCWEUUXYIKHB-UHFFFAOYSA-N
InChI
InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
Plain Text
IUPAC Name
diphenylmethanone
SMILES
O=C(C1=CC=CC=C1)C1=CC=CC=C1
Plain Text
Mass Spec Not Available
Taxonomy
Kingdom Not Available
Classes Not Available
Substructures Not Available
Pharmacology
Indication Not Available
Pharmacodynamics Not Available
Mechanism of action Not Available
Absorption Not Available
Volume of distribution Not Available
Protein binding Not Available
Metabolism Not Available
Route of elimination Not Available
Half life Not Available
Clearance Not Available
Toxicity Not Available
Affected organisms Not Available
Pathways Not Available
Pharmacoeconomics
Manufacturers Not Available
Packagers Not Available
Dosage forms Not Available
Prices Not Available
Patents Not Available
Properties
State solid
Experimental Properties
Property Value Source
melting point 47.8 °C PhysProp
boiling point 305.4 °C PhysProp
water solubility 137 mg/L (at 25 °C) YALKOWSKY,SH & DANNENFELSER,RM (1992)
logP 3.18 HANSCH,C ET AL. (1995)
Predicted Properties
Property Value Source
water solubility 4.01e-02 g/l ALOGPS
logP 3.03 ALOGPS
logP 3.43 ChemAxon
logS -3.7 ALOGPS
pKa (strongest basic) -7.5 ChemAxon
physiological charge 0 ChemAxon
hydrogen acceptor count 1 ChemAxon
hydrogen donor count 0 ChemAxon
polar surface area 17.07 ChemAxon
rotatable bond count 2 ChemAxon
refractivity 56.63 ChemAxon
polarizability 20.19 ChemAxon
References
Synthesis Reference Not Available
General Reference Not Available
External Links
Resource Link
KEGG Compound C06354 Link_out
PubChem Compound 3102 Link_out
PubChem Substance 46507784 Link_out
ChemSpider 2991 Link_out
BindingDB 22726 Link_out
ChEBI 3034 Link_out
ChEMBL 3034 Link_out
HET BZQ Link_out
Wikipedia http://en.wikipedia.org/wiki/Benzophenone Link_out
ATC Codes Not Available
AHFS Codes Not Available
PDB Entries
FDA label Not Available
MSDS Not Available
Interactions
Drug Interactions Not Available
Food Interactions Not Available
Comments
Drug created on June 13, 2005 07:24 / Updated on February 08, 2013 16:20