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1,3-Diphenyl-1,3-propanedione

Catalog Number
ACM120467
CAS Number
120-46-7
Product Name
1,3-Diphenyl-1,3-propanedione
Structure
Category
Pressure & Heat Sensitive Recording Materials; Heat & Pressure Sensitive Dyes
Synonyms
Dibenzoylmethane
Description
DryPowder; DryPowder, PelletsLargeCrystals; OtherSolid
IUPAC Name
1,3-diphenylpropane-1,3-dione
Molecular Weight
224.26
Molecular Formula
C15H12O2
Canonical SMILES
C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2
InChI Key
NZZIMKJIVMHWJC-UHFFFAOYSA-N
Melting Point
76~80 °C
Application
The purpose of 1,3-Diphenyl-1,3-propanedione is primarily to serve as a useful chemical reagent, notably for colorimetric detection of uranium, due to its specific solubility characteristics that allow it to interact effectively in various chemical environments. This compound, related to the flavonoid family and found in the root extract of licorice, also plays significant roles in biological contexts. It possesses properties that inhibit tumorigenesis, thus being researched for its potential as an antineoplastic and antimutagenic agent. Additionally, as a beta-diketone structural analog of acetylacetone, where methyl groups are substituted by phenyl groups, it exhibits higher-order chemical properties which make it valuable in both scientific research and potential therapeutic applications.
Complexity
243
Covalently-Bonded Unit Count
1
EC Number
204-398-9
Exact Mass
224.08373g/mol
Formal Charge
0
Heavy Atom Count
17
MeSH Entry Terms
dibenzoylmethane
Monoisotopic Mass
224.08373g/mol
NSC Number
6266
Rotatable Bond Count
4
UNII
ANS7ME8OKC
XLogP3
3.1
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