1,3-Diphenyl-1,3-propanedione - CAS 120-46-7

Catalog:	BB004880
Product Name:	1,3-Diphenyl-1,3-propanedione
CAS:	120-46-7
Synonyms:	1,3-diphenylpropane-1,3-dione

Technical Data

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Literatures

Computed Properties

IUPAC Name:	1,3-diphenylpropane-1,3-dione
Description:	Dibenzoylmethan is a kind of aromatic compound ahd has been found to restrain tumorigenesis in mice.
Molecular Weight:	224.25
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
Boiling Point:	381.9 ℃ / 760 mmHg
Melting Point:	77-79 ℃ (dec.)
Appearance:	Solid
Storage:	Sealed in dry. Room temperature.
MDL:	MFCD00003085
LogP:	3.14230

Publication Number	Title	Priority Date
CN-113367999-A	Sunscreen agent of composite silicon dioxide	20210730
CN-113429416-A	Synthesis method of dihydrofuropyrrolone derivative with spirotricyclic framework	20210630
CN-113337050-A	High-strength rigid polyvinyl chloride water supply pipe and preparation method thereof	20210526
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CN-112962172-A	Alginate fiber with fluorescence characteristic	20210420

PMID	Publication Date	Title	Journal
25130261	20141201	Reactivity of cosmetic UV filters towards skin proteins: model studies with Boc-lysine, Boc-Gly-Phe-Gly-Lys-OH, BSA and gelatin	International journal of cosmetic science
23571415	20130601	Structure-based identification of OATP1B1/3 inhibitors	Molecular pharmacology
22964240	20121201	Spectroscopic investigations of nano-sized titanium(IV) complexes containing electron-rich oxygen-based ligands	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
23094942	20121105	Rare-earth metal tris(trimethylsilylmethyl) anionic complexes bearing one 1-phenyl-2,3,4,5-tetrapropylcyclopentadienyl ligand: synthesis, structural characterization, and application	Inorganic chemistry
22763323	20121101	Highly luminescent lanthanide complexes with novel bis-β-diketone ligand: synthesis, characterization and photoluminescent properties	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

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GHS Hazard Statement:	H317 (93.94%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501
Signal Word:	Warning

Complexity:	243
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.083729621
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	224.083729621
Rotatable Bond Count:	4
Topological Polar Surface Area:	34.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1