2H-Chromen-2-one | CAS No. 91-64-5

2H-Chromen-2-one

Basic Information

CAS Number

91-64-5

Molecular Formula

C9H6O2

Molecular Weight

146.14 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

68-73 °C

Boiling Point

298 °C

Water Solubility

1.7 g/L (20 ºC)

Flash Point

162 ºC

Solubility

1.7g/l

Refractive Index

1.5100 (estimate)

Vapor Pressure

0.01 mmHg ( 47 °C)

O=c1ccc2ccccc2o1

InChI

InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H

InChIKey

ZYGHJZDHTFUPRJ-UHFFFAOYSA-N

LogP

1.793

Topological Polar Surface Area

30.21 Ų

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

196

Safety Information

View Safety Information

GHS Hazard Pictograms

H301H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Storage Conditions

2-8℃

Toxicity

LD50 orally in rats, guinea pigs: 680, 202 mg/kg (Jenner)

Synonyms & References

English

  • 2H-Chromen-2-one
  • TIMTEC-BB SBB000094
  • O-HYDROXYCINNAMIC ACID LACTONE
  • TONKA BEAN CAMPHOR
  • 5,6-BENZO-2-PYRONE
  • AKOS 212-75
  • 2H-1-BENZOPYRAN-2-ONE
  • 2H-1-BENZOPYAN-2-ONE
  • 1,2-BENZOPYRONE
  • Coumarin
  • COUMARIN(P) PrintBack
  • COUMARIN, INDICATOR
  • chromen-2-one
  • cis-o-CouMarinic acid lactone
  • COUMARINE
  • CouMarinic anhydride
  • CUMARIN
  • Kumarin
  • Rattex
  • Benzo-alpha-pyrone
  • o-Hydroxycinnamic lactone
  • 2-Oxo-1,2-benzopyran
  • Coumarinic lactone
  • Benzo-a-pyrone
  • Kumarin [Czech]
  • 2H-1-Benzopyran, 2-oxo-
  • 5,6-Benzo-alpha-pyrone
  • 2H-Benzo[b]pyran-2-one
  • 2H-Benzo(b)pyran-2-one
  • 1-Benzopyran-2-one
  • Caswell No. 259C

MDL Number

MFCD00006850

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