Introduction：Basic information about 4-Nitrobenzyl bromide CAS 100-11-8, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4-Nitrobenzyl bromide Basic information
| Product Name: | 4-Nitrobenzyl bromide |
| Synonyms: | alpha-bromo-p-nitro-toluen;-Bromo-4-nitro-toluene;Nitrobenzyl bromide;p-(Bromomethyl)nitrobenzene;p-Nitobenzylbromide;Toluene, alpha-bromo-4-nitro-;Toluene, alpha-bromo-p-nitro-;p-nitoro benzyl bromide |
| CAS: | 100-11-8 |
| MF: | C7H6BrNO2 |
| MW: | 216.03 |
| EINECS: | 202-820-6 |
| Product Categories: | Pyridines;Building Blocks;Chemical Synthesis;Nitro Compounds;Nitrogen Compounds;Organic Building Blocks;Aromatic Halides (substituted);Methyl Halides;Phenyls & Phenyl-Het;Protection & Derivatization Reagents (for Synthesis);Synthetic Organic Chemistry;Methyl Halides;Phenyls & Phenyl-Het |
| Mol File: | 100-11-8.mol |
|
4-Nitrobenzyl bromide Chemical Properties
| 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. |
| InChI | InChI=1S/C7H6BrNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2 |
| InChIKey | VOLRSQPSJGXRNJ-UHFFFAOYSA-N |
| SMILES | C1(CBr)=CC=C([N+]([O-])=O)C=C1 |
| 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
| 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 | TSCA listed |
| HazardClass | 8 |
| PackingGroup | II |
| HS Code | 29049085 |
| Storage Class | 8A - Combustible corrosive hazardous materials |
| Hazard Classifications | Eye Dam. 1
Skin Corr. 1B
STOT SE 3 |
4-Nitrobenzyl bromide Usage And Synthesis
| 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 | 4-Nitrotoluene |
| Preparation Products | FLUCYCLOXURON-->4-(Morpholinomethyl)aniline-->DIETHYL(4-NITROBENZYL)PHOSPHONATE-->2-Nitro-3-pyridinamine-->N,N-DIBENZYL GLYCINE METHYL ESTER-->1-(4-Nitrophenyl)methyl-1,2,4-triazole-->(4-Nitrophenyl)methanesulfonyl chloride-->4-Aminobenzylamine-->4-AMINO-N,N-DIMETHYLBENZYLAMINE |
