loading...| Preferred Name |
benzene |
|
| Synonyms |
BENZENE Benzene benzene [6]annulene Bicarburet of hydrogen cyclohexatriene phenyl hydride Pyrobenzole Coal naphtha Mineral naphtha Benzen Benzine Benzol Phene Pyrobenzol benzole |
|
| Definitions |
A six-carbon aromatic annulene in which each carbon atom donates one of its two 2p electrons into a delocalised pi system. A toxic, flammable liquid byproduct of coal distillation, it is used as an industrial solvent. Benzene is a carcinogen that also damages bone marrow and the central nervous system. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_16716 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:18836923 PMID:15935818 PMID:14677922 PMID:19228219 CAS:71-43-2 Reaxys:969212 PMID:16161967 PMID:18407866 PMID:11993966 PMID:8124204 PMID:21325737 PMID:18072742 PMID:23222815 PMID:6353911 Beilstein:969212 Gmelin:1671 PMID:15468289 PDBeChem:BNZ Wikipedia:Benzene KEGG:C01407 PMID:12857942 PMID:18409691 PMID:23088855 PMID:11684179 UM-BBD_compID:c0142 HMDB:HMDB0001505 PMID:17373369 PMID:23534829 |
|
| formula |
C6H6 |
|
| has exact synonym |
BENZENE Benzene benzene |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_50903 |
|
| has_alternative_id |
CHEBI:41187 CHEBI:13876 CHEBI:22703 CHEBI:3025 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
[6]annulene Bicarburet of hydrogen cyclohexatriene phenyl hydride Pyrobenzole Coal naphtha Mineral naphtha Benzen Benzine Benzol Phene Pyrobenzol benzole |
|
| id |
CHEBI:16716 |
|
| imported from | ||
| in subset | ||
| inchi |
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H |
|
| inchikey |
UHOVQNZJYSORNB-UHFFFAOYSA-N |
|
| label |
benzene |
|
| mass |
78.11184 |
|
| monoisotopicmass |
78.04695 |
|
| notation |
CHEBI:16716 |
|
| prefLabel |
benzene |
|
| smiles |
c1ccccc1 |
|
| textual definition |
A six-carbon aromatic annulene in which each carbon atom donates one of its two 2p electrons into a delocalised pi system. A toxic, flammable liquid byproduct of coal distillation, it is used as an industrial solvent. Benzene is a carcinogen that also damages bone marrow and the central nervous system. |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_134179 |
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