438626
4-Hydroxy-3-nitrocoumarin
98%
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About This Item
Empirical Formula (Hill Notation):
C9H5NO5
CAS Number:
Molecular Weight:
207.14
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
Quality Segment
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
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
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral
Storage Class
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
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