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491-31-6

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491-31-6 Structure

491-31-6 Structure
IdentificationBack Directory
[Name]

1H-2-Benzopyran-1-one
[CAS]

491-31-6
[Synonyms]

ISOCUMARINE
Isocoumarin
2,1-benzopyrone
isochromen-1-one
1H-isochromen-1-one
3,4-Dehydro-1-isochromanone
[Molecular Formula]

C9H6O2
[MDL Number]

MFCD08061387
[MOL File]

491-31-6.mol
[Molecular Weight]

146.14
Chemical PropertiesBack Directory
[Melting point ]

47°C
[Boiling point ]

286°C (estimate)
[density ]

1.1674 (rough estimate)
[refractive index ]

1.5100 (estimate)
[LogP]

1.994 (est)
[EPA Substance Registry System]

1H-2-Benzopyran-1-one (491-31-6)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H315-H302-H335
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
[TSCA ]

TSCA listed
Hazard InformationBack Directory
[Definition]

ChEBI: The simplest member of the class of isocoumarins that is 1H-isochromene which is substituted by an oxo group at position 1.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 106, p. 5274, 1984 DOI: 10.1021/ja00330a041
Journal of Heterocyclic Chemistry, 27, p. 1419, 1990 DOI: 10.1002/jhet.5570270544
Tetrahedron Letters, 25, p. 4459, 1984 DOI: 10.1016/S0040-4039(01)81466-0
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