EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:62822 - 4-nitrobenzyl bromide
| Formula | C7H6BrNO2 |
| Net Charge | 0 |
| Average Mass | 216.034 |
| Monoisotopic Mass | 214.95819 |
| SMILES | O=[N+]([O-])c1ccc(CBr)cc1 |
| InChI | InChI=1S/C7H6BrNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2 |
| InChIKey | VOLRSQPSJGXRNJ-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Roles: | allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. sensitiser A chemical compound that causes a substantial proportion of exposed people or animals to develop an allergic reaction in normal tissue after repeated exposure to the compound. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-nitrobenzyl bromide (CHEBI:62822) has role allergen (CHEBI:50904) |
| 4-nitrobenzyl bromide (CHEBI:62822) has role sensitiser (CHEBI:139492) |
| 4-nitrobenzyl bromide (CHEBI:62822) is a C-nitro compound (CHEBI:35716) |
| 4-nitrobenzyl bromide (CHEBI:62822) is a benzyl bromides (CHEBI:59857) |
| IUPAC Name |
|---|
| 1-(bromomethyl)-4-nitrobenzene |
| Synonyms | Source |
|---|---|
| p-Nitrobenzyl bromide | ChemIDplus |
| 4-(Bromomethyl)nitrobenzene | ChemIDplus |
| alpha-Bromo-4-nitrotoluene | ChemIDplus |
| alpha-Bromoparanitrotoluene | NIST Chemistry WebBook |
| alpha-Bromo-p-nitrotoluene | ChemIDplus |
| p-(Bromomethyl)nitrobenzene | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| WO2010052536 | Patent |
| Citations |
|---|