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Substance Name: Chalcone
RN: 94-41-7
InChIKey: DQFBYFPFKXHELB-VAWYXSNFSA-N

Note

  • An aromatic KETONE that forms the core molecule of CHALCONES.

Classification Code

  • Mutation Data

Molecular Formula

  • C15-H12-O

Molecular Weight

  • 208.2588
 
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Names and Synonyms

Name of Substance

  • Chalcone

MeSH Heading

  • Chalcone

Synonyms

  • 1,3-Diphenyl-1-propen-3-one
  • 1,3-Diphenylpropenone
  • 1-Benzoyl-1-phenylethene
  • 1-Benzoyl-2-phenylethene
  • 1-Phenyl-2-benzoylethylene
  • 2-Benzalacetophenone
  • 2-Benzylideneacetophenone
  • 2-Propen-1-one, 1,3-diphenyl-
  • 3-Phenylacrylophenone
  • Acrylophenone, 3-phenyl-
  • AI3-00946
  • alpha-Benzylideneacetophenone
  • Benzalacetophenone
  • Benzylidene acetophenone
  • Benzylidenecetophenone
  • beta-Benzoylstyrene
  • beta-Phenylacrylophenone
  • CCRIS 2213
  • Chalcone
  • Chalkone
  • Cinnamophenone
  • EINECS 202-330-2
  • NSC 26612
  • Phenyl 2-phenylvinyl ketone
  • Phenyl styryl ketone
  • Styryl phenyl ketone

Systematic Names

  • 2-Propen-1-one, 1,3-diphenyl-
  • Chalcone

Registry Numbers

CAS Registry Number

  • 94-41-7

Other Registry Numbers

  • 1081515-13-0
  • 1801869-81-7

System Generated Number

  • 0000094417

Structure Descriptors

InChI

1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+

InChIKey

DQFBYFPFKXHELB-VAWYXSNFSA-N

Smiles

c1ccc(cc1)/C=C/C(=O)c2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 681mg/kg (681mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 18, Pg. 65, 1979.
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04476,
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 28, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 57.5 deg C   EXP
Boiling Point 346.5 deg C   EXP
log P (octanol-water) 3.08 (none)   EXP
Water Solubility 92.9 mg/L 25 EST
Vapor Pressure 1.07E-04 mm Hg 25 EST
Henry's Law Constant 2.32E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.34E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.