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20261-31-8

20261-31-8 Structure

20261-31-8 Structure
IdentificationMore
[Name]

4-HYDROXY-3-NITROCOUMARIN
[CAS]

20261-31-8
[Synonyms]

4-HYDROXY-3-NITRO-2H-CHROMEN-2-ONE
4-HYDROXY-3-NITROCOUMARIN
AURORA KA-3190
3-Nitro-4-hydroxycoumarine
3-Nitro-4-hydroxy-2H-1-benzopyran-2-one
4-Hydroxy-3-nitro-2H-1-benzopyran-2-one
4-Hydroxy-3-nitro-3-chromene-2-one
[Molecular Formula]

C9H5NO5
[MDL Number]

MFCD00051671
[Molecular Weight]

207.14
[MOL File]

20261-31-8.mol
Chemical PropertiesBack Directory
[Appearance]

yellow to tan crystalline powder
[Melting point ]

172 °C (dec.) (lit.)
[Boiling point ]

364.5±42.0 °C(Predicted)
[density ]

1.63±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C, stored under nitrogen
[form ]

powder to crystal
[pka]

4.50±1.00(Predicted)
[color ]

White to Yellow to Green
[λmax]

329nm(EtOH(50vol%))(lit.)
[BRN ]

1247343
[InChI]

1S/C9H5NO5/c11-8-5-3-1-2-4-6(5)15-9(12)7(8)10(13)14/h1-4,11H
[InChIKey]

NZQAQAUWFHMVEM-UHFFFAOYSA-N
[SMILES]

OC1=C(C(=O)Oc2ccccc12)[N+]([O-])=O
[CAS DataBase Reference]

20261-31-8(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

25
[Safety Statements ]

26-36/37/39-45
[RIDADR ]

UN 2811 6.1 / PGIII
[WGK Germany ]

3
[HS Code ]

2932.20.4500
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Hazard InformationBack Directory
[Chemical Properties]

yellow to tan crystalline powder
[Uses]

4-Hydroxy-3-nitrocoumarin may be used as starting reagent for the synthesis of following compounds:
  • 4-chloro-3-nitrocoumarin
  • 2-unsubstituted 3-nitrochromone
  • 4-amino-3-nitrocoumarins
[Uses]

4-Hydroxy-3-nitrocoumarin (cas# 20261-31-8) is a compound useful in organic synthesis.
[General Description]

4-Hydroxy-3-nitrocoumarin is a coumarin derivative and its cytotoxic action against cultured human tumor and normal cells has been investigated. It can be prepared by the nitration of 4-hydroxycoumarin in glacial acetic acid by using 72% HNO3.
Spectrum DetailBack Directory
[Spectrum Detail]

4-HYDROXY-3-NITROCOUMARIN(20261-31-8)1HNMR
4-HYDROXY-3-NITROCOUMARIN(20261-31-8)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-Hydroxy-3-nitrocoumarin, 98%(20261-31-8)
[Sigma Aldrich]

20261-31-8(sigmaaldrich)
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