4-Nitrobenzyl bromide
- CAS No.
- 100-11-8
- Chemical Name:
- 4-Nitrobenzyl bromide
- Synonyms
- 1-(BROMOMETHYL)-4-NITROBENZENE;PARA NITRO BENZYL BROMIDE;P-NITROBENZYL BROMIDE;4NBB;Nitrobenzyl bromide;4-Nitrobenzyl;AKOS BBS-00004545;Nitrobenzyl broMid;p-Nitobenzylbromide;Nitro broMine benzyl
- CBNumber:
- CB5485712
- Molecular Formula:
- C7H6BrNO2
- Molecular Weight:
- 216.03
- MDL Number:
- MFCD00007373
- MOL File:
- 100-11-8.mol
- MSDS File:
- SDS
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) |
EWG's Food Scores | 1 |
FDA UNII | QCHRSPCHUE |
NIST Chemistry Reference | Benzene, 1-(bromomethyl)-4-nitro-(100-11-8) |
EPA Substance Registry System | Benzene, 1-(bromomethyl)-4-nitro- (100-11-8) |
SAFETY
Risk and Safety Statements
Symbol(GHS) | GHS05,GHS07 |
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Signal word | Danger | |||||||||
Hazard statements | H314-H335 | |||||||||
Precautionary statements | P260-P271-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338 | |||||||||
Hazard Codes | C,Xi | |||||||||
Risk Statements | 34 | |||||||||
Safety Statements | 26-36/37/39-45 | |||||||||
RIDADR | UN 3261 8/PG 2 | |||||||||
WGK Germany | 3 | |||||||||
RTECS | XS7967000 | |||||||||
F | 10-19-21 | |||||||||
Hazard Note | Irritant/Corrosive | |||||||||
TSCA | Yes | |||||||||
HazardClass | 8 | |||||||||
PackingGroup | II | |||||||||
HS Code | 29049085 | |||||||||
NFPA 704 |
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4-Nitrobenzyl bromide Chemical Properties,Uses,Production
Chemical Properties
white to light yellow crystal powde
Uses
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.]
4-Nitrobenzyl bromide Preparation Products And Raw materials
Raw materials
Preparation Products
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