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222518

Sigma-Aldrich

3-Nitrobenzyl bromide

98%

Synonym(s):

α-Bromo-m-nitrotoluene

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About This Item

Linear Formula:
C7H6NO2Br
CAS Number:
3958-57-4
Molecular Weight:
216.03
EC Number:
223-557-3
MDL number:
MFCD00007271
UNSPSC Code:
12352100
PubChem Substance ID:
24853338
NACRES:
NA.22

Quality Level

100

assay

98%

mp

58-59 °C (lit.)

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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Application

3-Nitrobenzyl bromide was used in the synthesis of 1,4-disubstituted imidazoles.

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

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

Certificates of Analysis (COA)

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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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