ChemicalBook > CAS DataBase List > 3-Nitrobenzyl bromide

3-Nitrobenzyl bromide

Product Name
3-Nitrobenzyl bromide
CAS No.
3958-57-4
Chemical Name
3-Nitrobenzyl bromide
Synonyms
1-(Bromomethyl)-3-nitrobenzene;NSC 66499;3-Nitrobromobenzyl;3-Nitrobenzyl bromid;M-NITROBENZYL BROMIDE;3-NITROBENZYL BROMIDE;α-Bromo-3-nitrotoluene;A-BROMO-M-NITROTOLUENE;a-Bromo-3-nitrotoluene;à-bromo-3-nitrotoluene
CBNumber
CB3402571
Molecular Formula
C7H6BrNO2
Formula Weight
216.03
MOL File
3958-57-4.mol
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3-Nitrobenzyl bromide Property

Melting point:
58-59 °C(lit.)
Boiling point:
153-154 °C (7 mmHg)
Density 
1.6841 (rough estimate)
refractive index 
1.6120 (estimate)
Flash point:
153-154°C/7mm
storage temp. 
under inert gas (nitrogen or Argon) at 2-8°C
solubility 
Dichloromethane, Hot Ethanol
form 
Crystalline Powder or Crystals
color 
Yellow to light brown
Water Solubility 
insoluble
BRN 
742795
InChIKey
LNWXALCHPJANMJ-UHFFFAOYSA-N
CAS DataBase Reference
3958-57-4(CAS DataBase Reference)
NIST Chemistry Reference
Benzene, 1-(bromomethyl)-3-nitro-(3958-57-4)
EPA Substance Registry System
Benzene, 1-(bromomethyl)-3-nitro- (3958-57-4)
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Safety

Hazard Codes 
C
Risk Statements 
34-36/37
Safety Statements 
26-27-28-36/37/39-45
RIDADR 
UN 3261 8/PG 2
WGK Germany 
3
TSCA 
Yes
HazardClass 
8
PackingGroup 
II
HS Code 
29049090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H314Causes severe skin burns and eye damage

H335May cause respiratory irritation

Precautionary statements

P260Do not breathe dust/fume/gas/mist/vapours/spray.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P330+P331IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
222518
Product name
3-Nitrobenzyl bromide
Purity
98%
Packaging
5g
Price
$43.1
Updated
2025/07/31
TCI Chemical
Product number
N0625
Product name
3-Nitrobenzyl Bromide
Purity
>98.0%(GC)
Packaging
10g
Price
$16
Updated
2025/07/31
TCI Chemical
Product number
N0625
Product name
3-Nitrobenzyl Bromide
Purity
>98.0%(GC)
Packaging
25g
Price
$27
Updated
2025/07/31
Usbiological
Product number
232095
Product name
3-Nitrobenzyl bromide 98+%
Packaging
5g
Price
$156
Updated
2021/12/16
TRC
Product number
N493635
Product name
3-Nitrobenzyl Bromide
Packaging
25g
Price
$710
Updated
2021/12/16
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3-Nitrobenzyl bromide Chemical Properties,Usage,Production

Chemical Properties

Pale Yellow Crystalline Solid

Uses

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

Synthesis

619-25-0

3958-57-4

General procedure for the synthesis of 3-nitrobenzyl bromide from 3-nitrobenzyl alcohol: Powdered 3-nitrobenzyl alcohol (0.5 mmol) was mixed with halosilanes (0.55 mmol) in a 4 mL screw-capped vial and stirred or heated at room temperature. The reaction mixture was kept at 70-75 °C for 0.5-24 h, during which the reaction progress was monitored by TLC. Upon completion of the reaction, the crude product was cooled to room temperature and the volatile by-product (TMS) was removed by evaporation under reduced pressure (30-35 °C).2O. The residue was confirmed by 1H NMR analysis. If necessary, the pure 3-nitrobenzyl bromide was purified by column chromatography on dry silica to obtain pure 3-nitrobenzyl bromide. Detailed experimental data, including isolated yields, spectral and other characterization data, are given in the Final Product Characterization section of the Supporting Information.

References

[1] Tetrahedron Letters, 2016, vol. 57, # 22, p. 2430 - 2433
[2] Organic Process Research and Development, 2002, vol. 6, # 2, p. 190 - 191
[3] Beilstein Journal of Organic Chemistry, 2014, vol. 10, p. 1397 - 1405
[4] Patent: WO2014/151871, 2014, A2. Location in patent: Page/Page column 59; 60
[5] Journal of the American Chemical Society, 1949, vol. 71, p. 2137,2138,2140

3-Nitrobenzyl bromide Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 3-Nitrobenzyl bromide manufacturers

Henan Aochuang Chemical Co.,Ltd.
Product
3-Nitrobenzyl bromide 3958-57-4
Price
US $0.00-0.00/KG
Min. Order
1KG
Purity
98%
Supply Ability
1ton
Release date
2022-09-29
Xi'an Yutbon Pharmaceutical Technology Co., Ltd
Product
3-Nitrobenzyl bromide 3958-57-4
Price
US $0.00/KG
Min. Order
1KG
Purity
98%
Supply Ability
200kgs
Release date
2020-09-28
Career Henan Chemical Co
Product
3-Nitrobenzyl bromide 3958-57-4
Price
US $1.00/KG
Min. Order
1KG
Purity
≥98%
Supply Ability
200kg
Release date
2019-08-30

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