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222518

3-Nitrobenzyl bromide

Name: 3-Nitrobenzyl bromide
Brand: ALDRICH

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

NACRES:

NA.22

PubChem Substance ID:

24853338

UNSPSC Code:

12352100

EC Number:

223-557-3

MDL number:

MFCD00007271

Assay:

98%

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Properties

Quality Level

100

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

Description

Application

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

pictograms

GHS05,GHS07

signalword

Danger

hcodes

H314,H335

pcodes

P260 - P271 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B - STOT SE 3

target_organs

Respiratory system

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

Regulatory Information

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1,4-Disubstituted imidazoles are potential antibacterial agents functioning as inhibitors of enoyl acyl carrier protein reductase (FabI).

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.

Global Trade Item Number

SKU	GTIN
222518-5G	04061838778048