438626

4-Hydroxy-3-nitrocoumarin

98%

• Empirical Formula (Hill Notation): C₉H₅NO₅
• CAS Number: 20261-31-8
• Molecular Weight: 207.14
• MDL number: MFCD00051671
• UNSPSC Code: 12352100
• PubChem Substance ID: 24867464
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 98%
• mp: 172 °C (dec.) (lit.)
• functional group: ester; ketone; nitro
• SMILES string: OC1=C(C(=O)Oc2ccccc12)[N+]([O-])=O
• InChI: 1S/C9H5NO5/c11-8-5-3-1-2-4-6(5)15-9(12)7(8)10(13)14/h1-4,11H
• InChI key: NZQAQAUWFHMVEM-UHFFFAOYSA-N

Description

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.

Application

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

Safety Information

• Pictograms: GHS06
• Signal Word: Danger
• Hazard Statements: H301
• Precautionary Statements: P264 - P270 - P301 + P310 - P405 - P501
• Hazard Classifications: Acute Tox. 3 Oral
• Storage Class Code: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable