loading...| Preferred Name |
nitrobenzene |
|
| Synonyms |
NITROBENZENE nitrobenzene Nitrobenzene Nitrobenzol oil of mirbane |
|
| Definitions |
A nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_27798 |
|
| charge |
0 |
|
| database_cross_reference |
KEGG:C06813 Beilstein:507540 PDBeChem:NBZ Gmelin:50357 CAS:98-95-3 PMID:11304127 HMDB:HMDB0041950 MetaCyc:BENZENE-NO2 PMID:12595155 Wikipedia:Nitrobenzene UM-BBD_compID:c0313 Reaxys:507540 |
|
| formula |
C6H5NO2 |
|
| has_alternative_id |
CHEBI:25551 CHEBI:44199 CHEBI:116696 CHEBI:7588 |
|
| has_exact_synonym |
NITROBENZENE nitrobenzene Nitrobenzene |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Nitrobenzol oil of mirbane |
|
| id |
CHEBI:27798 |
|
| in_subset | ||
| inchi |
InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H |
|
| inchikey |
LQNUZADURLCDLV-UHFFFAOYSA-N |
|
| label |
nitrobenzene |
|
| mass |
123.10940 |
|
| monoisotopicmass |
123.03203 |
|
| notation |
CHEBI:27798 |
|
| prefLabel |
nitrobenzene |
|
| smiles |
[O-][N+](=O)c1ccccc1 |
|
| textual definition |
A nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline. |
|
| subClassOf |