1,3-Diphenylpropane-1,3-dione

Names

[ CAS No. ]:
120-46-7

[ Name ]:
1,3-Diphenylpropane-1,3-dione

[Synonym ]:
1,3-Diphenyl-1,3-propanedione
1,3-diphenylpropane-1,3-dione
Dibenzoylmethane
MFCD00003085
phenacyl phenyl ketone
EINECS 204-398-9
1,3-Propanedione, 1,3-diphenyl-

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
357.4±0.0 °C at 760 mmHg

[ Melting Point ]:
77-79 °C(lit.)

[ Molecular Formula ]:
C₁₅H₁₂O₂

[ Molecular Weight ]:
224.255

[ Flash Point ]:
146.9±20.2 °C

[ Exact Mass ]:
224.083725

[ PSA ]:
34.14000

[ LogP ]:
3.04

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.584

[ Storage condition ]:
Store at RT.

[ Stability ]:
Stable. Incompatible with strong oxidizing agents.

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TZ1930000

CHEMICAL NAME :: 1,3-Propanedione, 1,3-diphenyl-

CAS REGISTRY NUMBER :: 120-46-7

LAST UPDATED :: 199701

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C15-H12-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,28,1953 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4833 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 28 (estimated)

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
TZ1930000

[ HS Code ]:
2914399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Benzoyl chloride
Acetophenone
Methyl benzoate
Benzaldehyde
2-Bromoacetophenone
2-Chloroacetophenone
2-Propyn-1-one, 1,3-diphenyl-
Ethyl benzoate
1,3-diphenyl-2,3-epoxy-1-propanone
1-Propanone, 2,3-dibromo-1,3-diphenyl-

DownStream

2-fluoro-1,3-diphenylpropane-1,3-dione
2,2-DIFLUORO-1,3-DIPHENYL-PROPANE-1,3-DIONE
N-BENZOYL PYRROLIDINE
5,7-diphenyl-2,3-dihydro-1H-pyrrolizine
Ethyl oxophenylacetate
Ethyl benzoate
Benzamide
(5-phenyl-1,3,4-oxathiazole-2,2-diyl)bis(phenylmethanone)

Customs

[ HS Code ]: 2914399090

[ Summary ]:
2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

Articles

Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases.

J. Med. Chem. 48 , 2906-15, (2005)

Carboxylesterases (CE) are ubiquitous enzymes responsible for the metabolism of xenobiotics. Because the structural and amino acid homology among esterases of different classes, the identification of ...

A glimpse of the inner workings of the templated site.

Chem. Commun. (Camb.) (2) , 165-7, (2009)

This is the first direct experimental probe, using EXAFS, of the active site within molecularly imprinted polymers and paves the way to a more detailed understanding of the inner workings of molecular...

Combining ligand-based pharmacophore modeling, quantitative structure-activity relationship analysis and in silico screening for the discovery of new potent hormone sensitive lipase inhibitors.

J. Med. Chem. 51 , 6478-94, (2008)

Hormone sensitive lipase (HSL) has been recently implicated in diabetes and obesity, prompting attempts to discover new HSL inhibitors. Toward this end, we explored the pharmacophoric space of HSL inh...

2-iodo-1,3-diphenylpropane-1,3-dione
2-allyl-1,3-diphenylpropane-1,3-dione
2-butyl-1,3-diphenylpropane-1,3-dione
2-ethyl-1,3-diphenylpropane-1,3-dione
chromium,1,3-diphenylpropane-1,3-dione
2-chloro-1,3-diphenylpropane-1,3-dione
3-(2-Bromoethyl)-5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-one
(R)-2-methyl-N-(3-(trifluoromethyl)benzylidene)propane-2-sulfinamide
3,4-Difluorothiophene-2-carboxylic acid
3-(2-Fluorobenzenesulfonyl)aniline
Methyl 3-{[2-chloro-4-(hydroxymethyl)phenoxy]methyl}benzoate
2-Amino-5-fluoro-4-hydroxyquinoline-3-carbonitrile
1-Cyclopentylpiperazine hydrochloride
(R)-3,3-Difluoro-8-azaspiro[4.5]decan-1-amine
1-Azabicyclo[2.2.1]heptan-4-yl methanesulfonate
4-Chloro-3,7-dimethylquinolin-8-amine

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