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Safety Information

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

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

Signal Word

Danger

Hazard Statements

H314,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

222518-5G:
222518-VAR:
222518-BULK:

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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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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