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
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
- InChI
- 1S/C7H6BrNO2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2
- InChIKey
- LNWXALCHPJANMJ-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1cccc(CBr)c1
- 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)
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
- TSCA listed
- HazardClass
- 8
- PackingGroup
- II
- HS Code
- 29049090
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Eye Dam. 1
Skin Corr. 1B
STOT SE 3
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.
N-Bromosuccinimide Price
- Product number
- 222518
- Product name
- 3-Nitrobenzyl bromide
- Purity
- 98%
- Packaging
- 5g
- Price
- $43.1
- Updated
- 2025/07/31
- Product number
- N0625
- Product name
- 3-Nitrobenzyl Bromide
- Purity
- >98.0%(GC)
- Packaging
- 10g
- Price
- $16
- Updated
- 2025/07/31
- Product number
- N0625
- Product name
- 3-Nitrobenzyl Bromide
- Purity
- >98.0%(GC)
- Packaging
- 25g
- Price
- $27
- Updated
- 2025/07/31
- Product number
- 232095
- Product name
- 3-Nitrobenzyl bromide 98+%
- Packaging
- 5g
- Price
- $156
- Updated
- 2021/12/16
- Product number
- N493635
- Product name
- 3-Nitrobenzyl Bromide
- Packaging
- 25g
- Price
- $710
- Updated
- 2021/12/16
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
- 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
- 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
- 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