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330191

Sigma-Aldrich

2-Bromo-3-nitrobenzoic acid

technical grade, 90%

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About This Item

Linear Formula:
BrC6H3(NO2)CO2H
CAS Number:
573-54-6
Molecular Weight:
246.01
EC Number:
209-356-3
MDL number:
MFCD00074899
UNSPSC Code:
12352100
PubChem Substance ID:
24859840
NACRES:
NA.22

grade

technical grade

assay

90%

mp

184-186 °C (lit.)

SMILES string

OC(=O)c1cccc(c1Br)[N+]([O-])=O

InChI

1S/C7H4BrNO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11)

InChI key

WTDJEGSXLFHZPY-UHFFFAOYSA-N

Application

2-Bromo-3-nitrobenzoic acid was used in preparation of 3-substituted 5-nitroisocoumarins and 2-bromo-3-nitrobenzaldehyde.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Esther C Y Woon et al.
Bioorganic & medicinal chemistry, 21(17), 5218-5227 (2013-07-16)
Poly(ADP-ribose)polymerase-1 (PARP-1) is an important target for drug design for several therapeutic applications. 5-Aminoisoquinolin-1-one (5-AIQ) is a highly water-soluble lead compound; synthetic routes to 3-substituted analogues were explored. Tandem Hurtley coupling of β-diketones with 2-bromo-3-nitrobenzoic acid, retro-Claisen acyl cleavage and
Preparation and NMR analysis of 2, 6-heterodifunctional halobenzenes as precursors for substituted biphenyls
Sienkowska M, et al.
Tetrahedron, 56(2), 165-173 (2000)

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