222518
3-Nitrobenzyl bromide
98%
Synonym(s):
α-Bromo-m-nitrotoluene
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About This Item
Linear Formula:
C7H6NO2Br
CAS Number:
Molecular Weight:
216.03
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
assay
98%
mp
58-59 °C (lit.)
functional group
bromo
nitro
SMILES string
[O-][N+](=O)c1cccc(CBr)c1
InChI
1S/C7H6BrNO2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2
InChI key
LNWXALCHPJANMJ-UHFFFAOYSA-N
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Related Categories
Application
3-Nitrobenzyl bromide was used in the synthesis of 1,4-disubstituted imidazoles.
signalword
Danger
hcodes
Hazard Classifications
Eye Dam. 1 - Skin Corr. 1B - STOT SE 3
target_organs
Respiratory system
Storage Class
8A - Combustible corrosive hazardous materials
wgk_germany
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
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D A Heerding et al.
Bioorganic & medicinal chemistry letters, 11(16), 2061-2065 (2001-08-22)
1,4-Disubstituted imidazole inhibitors of Staphylococcus aureus and Escherichia coli enoyl acyl carrier protein reductase (FabI) have been identified. Crystal structure data shows the inhibitor 1 bound in the enzyme active site of E. coli FabI.
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