2-COUMARANONE

2-COUMARANONE
  • CAS No.:553-86-6
Other grades of this product :
2-COUMARANONE Basic information
Description Reference
Product Name:2-COUMARANONE
Synonyms:1-Benzofuran-2(3H)-one;2-Coumaronone;2,3-dihydrobenzofuran-2-one;Benzo[b]furan-2(3H)-one;BENZOFURAN-2[3H]-ONE;2H-BENZOFURANONE;2-COUMARANONE;2(3H)-BENZOFURANONE
CAS:553-86-6
MF:C8H6O2
MW:134.13
EINECS:209-052-0
Product Categories:Benzofurans;Building Blocks;Heterocyclic Building Blocks
Mol File:553-86-6.mol
2-COUMARANONE Chemical Properties
Melting point 49-51 °C(lit.)
Boiling point 248-250 °C(lit.)
density 1,22 g/cm3
vapor pressure 0.027-0.24Pa at 10-30℃
refractive index 1.4800 (estimate)
Fp >230 °F
storage temp. Sealed in dry,Room Temperature
solubility H2O: soluble3.8g/L at 30°C
form Crystalline Powder or Crystals
color White to yellow-orange
BRN 114689
InChIKeyACZGCWSMSTYWDQ-UHFFFAOYSA-N
LogP1.347
Surface tension63.8mN/m at 1g/L and 20℃
CAS DataBase Reference553-86-6(CAS DataBase Reference)
Safety Information
Hazard Codes Xn,Xi
Risk Statements 20/21/22-36/37/38-43-36/38
Safety Statements 24/25-36-26-36/37
WGK Germany 3
HS Code 29322090
MSDS Information
ProviderLanguage
SigmaAldrich English
ACROS English
ALFA English
2-COUMARANONE Usage And Synthesis
Description2-Coumaranone (also named as Isophthalide, 3H-benzofuran-2-one) belongs to a class of organic compounds named as benzofuranones which exhibits mutagenic and carcinogenic activity. 2-Coumaranone has been used to study the effects of coumarins on 7,12-dimethyibenz(a)anthracene induced neoplasia of the rat mammary gland and as probe for detecting enzymes which hydrolyze 2-hydroxybenzofuran structures.
ReferenceY. S. Priya, K. Ramachandra Rao, P. V. Chalapathi, M. Satyavani, A. Veeraiah, Vibrational and UV spectroscopic studies of 2-coumaranone by experimental and density functional theory calculations, Journal of Molecular Structure, 2017, vol. 1144, pp. 535-544
Chemical PropertiesWHITE TO LIGHT YELLOW CRYSTALLINE POWDER
Uses2-Coumaranone has been used to study the effects of coumarins on 7,12-dimethyibenz(a)anthracene induced neoplasia of the rat mammary gland. It was employed as probe for detecting enzymes which hydrolyze 2-hydroxybenzofuran structures.
Synthesis Reference(s)The Journal of Organic Chemistry, 47, p. 2491, 1982 DOI: 10.1021/jo00133a055
2-COUMARANONE Preparation Products And Raw materials

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