| Identification | More | [Name]
3-Nitrobenzyl bromide | [CAS]
3958-57-4 | [Synonyms]
3-NITROBENZYL BROMIDE
A-BROMO-M-NITROTOLUENE
ALPHA-BROMO-3-NITROTOLUENE
ALPHA-BROMO-M-NITROTOLUENE
M-NITROBENZYL BROMIDE
1-(bromomethyl)-3-nitro-benzen
1-(Bromomethyl)-3-nitrobenzene
m-(Bromomethyl)nitrobenzene
m-Nitro-alpha-bromotoluene
Toluene, alpha-bromo-m-nitro-
a-Bromo-3-nitrotoluene
3-Nitrobenzyl bromide, 98+%
à-bromo-3-nitrotoluene
α-bromo-m-nitrotoluene
3-(Bromomethyl)nitrobenzene
m-Nitro-a-bromotoluene
3-Nitro-1-(bromomethyl)benzene
α-Bromo-3-nitrotoluene | [EINECS(EC#)]
223-557-3 | [Molecular Formula]
C7H6BrNO2 | [MDL Number]
MFCD00007271 | [Molecular Weight]
216.03 | [MOL File]
3958-57-4.mol |
| Chemical Properties | Back Directory | [Appearance]
Pale Yellow Crystalline Solid | [Melting point ]
58-59 °C(lit.)
| [Boiling point ]
153-154 °C (7 mmHg)
| [density ]
1.6841 (rough estimate) | [refractive index ]
1.6120 (estimate) | [Fp ]
153-154°C/7mm | [storage temp. ]
Inert atmosphere,2-8°C | [solubility ]
Dichloromethane, Hot Ethanol | [form ]
Crystalline Powder or Crystals | [color ]
Yellow to light brown | [Water Solubility ]
insoluble | [Detection Methods]
HPLC,NMR | [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]
3958-57-4(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS05,GHS07 | [Signal word ]
Danger | [Hazard statements ]
H314-H335 | [Precautionary statements ]
P260-P271-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338 | [Hazard Codes ]
C | [Risk Statements ]
R34:Causes burns.
R36/37:Irritating to eyes and respiratory system . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 3261 8/PG 2
| [WGK Germany ]
3
| [TSCA ]
Yes | [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 Information | Back Directory | [Chemical Properties]
Pale Yellow Crystalline Solid | [Uses]
3-Nitrobenzyl bromide was used in the synthesis of 1,4-disubstituted imidazoles. | [Synthesis]
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 |
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Alfa Aesar
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Energy Chemical
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Jia Xing Isenchem Co.,Ltd
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