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1983-81-9

1983-81-9 Structure

1983-81-9 Structure
IdentificationBack Directory
[Name]

4,7-DIHYDROXYCOUMARIN
[CAS]

1983-81-9
[Synonyms]

NSC 136214
AURORA KA-3743
4,7-HYDROXY-COUMARIN
4,7-DIHYDROXYCOUMARIN
4,7-Dihydroxychromen-4-one
4,7-Dihydroxy-2H-1-benzopyran-2-one
4,7-Dihydroxy-2-oxo-2H-1-benzopyran
2H-1-Benzopyran-2-one, 4,7-dihydroxy-
4,7DIHYDROXYCOUMARIN,4,7 DIHYDROXYCOUMARIN
[Molecular Formula]

C9H6O4
[MDL Number]

MFCD00203882
[MOL File]

1983-81-9.mol
[Molecular Weight]

178.14
Chemical PropertiesBack Directory
[Melting point ]

280-281℃ (methanol )
[Boiling point ]

445.5±45.0 °C(Predicted)
[density ]

1.612±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

powder to crystal
[pka]

4.50±1.00(Predicted)
[color ]

Light yellow to Yellow to Orange
[λmax]

310nm(EtOH aq.)(lit.)
[InChI]

1S/C9H6O4/c10-5-1-2-6-7(11)4-9(12)13-8(6)3-5/h1-4,10-11H
[InChIKey]

CYSRKZFPSNZSCS-UHFFFAOYSA-N
[SMILES]

Oc1ccc2C(O)=CC(=O)Oc2c1
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

22-36
[Safety Statements ]

26
[WGK Germany ]

3
[HS Code ]

2932.20.3000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Hazard InformationBack Directory
[Definition]

ChEBI: 4,7-Dihydroxy-2H-1-benzopyran-2-one is a hydroxycoumarin.
Spectrum DetailBack Directory
[Spectrum Detail]

4,7-DIHYDROXYCOUMARIN(1983-81-9)1HNMR
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