4-Nitrobenzyl bromide
Synonym(s):α-Bromo-4-nitrotoluene
- CAS NO.：100-11-8
- Empirical Formula: C7H6BrNO2
- Molecular Weight: 216.03
- MDL number: MFCD00007373
- EINECS: 202-820-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:24:56
What is 4-Nitrobenzyl bromide?
Chemical properties
white to light yellow crystal powde
The Uses of 4-Nitrobenzyl bromide
4-Nitrobenzyl bromide is used in the synthesis of di and tri-substituted azoles. It is also used in the preparation of N6-Benzyladenosine-5?-uronamides as selective A3 adenosine agonists.
Definition
ChEBI: A C-nitro compound that consists of nitrobenzene bearing a bromomethyl substituent at the para-position.
Purification Methods
Recrystallise the bromide four times from absolute EtOH, then twice from cyclohexane/hexane/*benzene (1:1:1), followed by sublimation at 0.1mm and final recrystallisation from the same solvent mixture. [Lichtin & Rao J Am Chem Soc 83 2417 1961.] It has also been crystallised from pet ether (b 80-100o, 10mL/g, charcoal). It slowly decomposes even when stored in a desiccator in the dark. IRRITANT. [Beilstein 5 IV 861.]
Properties of 4-Nitrobenzyl bromide
| Melting point: | 98 °C |
| Boiling point: | 265.51°C (rough estimate) |
| Density | 1.6841 (rough estimate) |
| refractive index | 1.6120 (estimate) |
| storage temp. | Store at RT. |
| solubility | soluble in Chloroform, Ethyl Acetate |
| form | Crystalline Powder |
| color | Light yellow to beige |
| Water Solubility | It hydrolyzes in water. Soluble in alcohol and ether. |
| BRN | 742796 |
| Stability: | Stable. Incomaptible with bases, amines, oxidizing agents, alcohols. May be moisture sensitive. Corrodes steel. |
| CAS DataBase Reference | 100-11-8(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzene, 1-(bromomethyl)-4-nitro-(100-11-8) |
| EPA Substance Registry System | Benzene, 1-(bromomethyl)-4-nitro- (100-11-8) |
Safety information for 4-Nitrobenzyl bromide
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 4-Nitrobenzyl bromide
4-Nitrobenzyl bromide manufacturer
ASM Organics
Andhra Pradesh
Phone:91-9866122393
Whatsapp: 91-9866122393
product: 4-Nitrobenzyl bromide
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