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Safety Information

130184

Sigma-Aldrich

7-Nitro-3,4-benzocoumarin

98%

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About This Item

Empirical Formula (Hill Notation):
C13H7NO4
CAS Number:
6638-64-8
Molecular Weight:
241.20
MDL number:
MFCD00004992
UNSPSC Code:
12352100
PubChem Substance ID:
24847947
NACRES:
NA.22

Assay

98%

form

solid

mp

203-205 °C (lit.)

functional group

ester
nitro

SMILES string

[O-][N+](=O)c1ccc-2c(OC(=O)c3ccccc-23)c1

InChI

1S/C13H7NO4/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)18-13/h1-7H

InChI key

KWGYGQPIDANWAX-UHFFFAOYSA-N

General description

7-Nitro-3,4-benzocoumarin was prepared by the oxidation of 4′-nitrobiphenyl-2-carboxylic acid.

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H301,H319

Precautionary Statements

P301 + P310 - P305 + P351 + P338

Hazard Classifications

Acute Tox. 3 Oral - Eye Irrit. 2

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 2

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
03315PH
03018HM
S34142
52735

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T Watanabe et al.
Mutation research, 388(1), 67-78 (1997-01-15)
The effect of rat liver S9 on the mutagenicity of 10 nitrated polycyclic aromatic hydrocarbons (nitro-PAHs) was evaluated with Salmonella typhimurium TA98NR using S9 from phenobarbital-, 3-methylcholanthrene (MC)-, beta-naphthoflavone- and polychlorobiphenyl-treated and untreated rats. 2-Nitrofluorene (2-NFI), 2-nitrofluoren-9-one (2-NFlone), 2-nitrocarbazole (2-NCz)
Mutagenicity of nitrodibenzopyranones in the Salmonella plate-incorporation and microsuspension assays.
T Watanabe et al.
Mutation research, 345(1-2), 1-9 (1995-11-01)

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