Benzene
fo-d2c6872c1fc3515e
Identity
- Type
- Neutral molecule
- CAS
- 71-43-2
- EC
- 200-753-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
What it is used for
1
Roles, not types. A substance bears as many as apply — sulfluramid is an
insecticide and an acaricide — and each is a class ChEBI curates, asserted
with ChEBI’s own has role. The narrow ones publish the broad
ones alongside them, so a substance filed as a herbicide is a pesticide
here too. See agricultural
chemicals for what the axis is and which classes are published.
| Role | Definition | Evidence |
|---|---|---|
| environmental contaminant CHEBI:78298 | Any minor or unwanted substance introduced into the environment that can have undesired effects. | ChEBI |
Alternative labels
15- 1,3,5-Cyclohexatriene
- [6]annulene
- Benzen
- Benzine
- Benzol
- benzole
- Bicarburet of hydrogen
- Coal naphtha
- cyclohexatriene
- MeSH ID: D001554
- Mineral naphtha
- Phene
- phenyl hydride
- Pyrobenzol
- Pyrobenzole
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | UHOVQNZJYSORNB-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H |
| IUPAC name chemrof:IUPAC_name | Benzene |
| Molecular formula chemrof:molecular_formula | C6H6 |
| Molecular mass chemrof:molecular_mass | 78.114 |
| Monoisotopic mass chemrof:monoisotopic_mass | 78.04695 |
| SMILES string chemrof:smiles_string | c1ccccc1 |
Known URLs
49Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=25053-22-9 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=6842-25-7 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=71-43-2 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=79086-19-4 | enrich_references.pubchem_identifier_url |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/CY155CC0.html | enrich_references.pubchem_identifier_url |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/DE2E3BF0.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16716 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.685 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0015 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3039242 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=67315 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL277500 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:1671 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/J64922108F | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0001505 | enrich_references.chebi_xrefs |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2902.20.00.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.749.610G | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.375B | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C01407 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C01407 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37835 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C302 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:BNZ | enrich_references.chebi_xrefs |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA451991 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/241 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1114 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11684179 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11993966 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12857942 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/14677922 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15468289 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15935818 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16161967 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17373369 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18072742 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18407866 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18409691 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18836923 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19228219 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21325737 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23088855 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23222815 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23534829 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/6353911 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/8124204 | enrich_references.chebi_xrefs |
| reaxys | reaxys:969212 | enrich_references.chebi_xrefs |
| umbbd.compound | umbbd.compound:c0142 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q2270 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Benzene | enrich_references.chebi_xrefs |
Elementary flows
15| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 08a91e70-3ddc-11dd-9206-0050c2490048 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 7 |
| 08a91e70-3ddc-11dd-9204-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 7 |
| 93bb393a-3c24-46b0-bc77-7f1c3d61f8f4 | Environmental → Air → Indoor | EF 3.1 | kg | 6 |
| 08a91e70-3ddc-11dd-9203-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 1 |
| 08a91e70-3ddc-11dd-9205-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 7 |
| 08a91e70-3ddc-11dd-9202-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 7 |
| 08a91e70-3ddc-11dd-9200-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 6 |
| 4d9a8790-3ddd-11dd-9cca-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 6 |
| 08a91e70-3ddc-11dd-9201-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 6 |
| 08a91e70-3ddc-11dd-9208-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9ccb-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 6 |
| 10bf8e99dab7d21c3154931e543f4cd973407d57 | Environmental → Water → River | bafu algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-9207-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 6 |
| 502c21e38dd0f5c7a168b57efadbea2fe640ad4b | Environmental → Water → Unconfined aquifer | ecoinvent algorithm addition | kg | 0 |
| 4d9a8790-3ddd-11dd-9cc9-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 6 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-d2c6872c1fc3515e",
"prefLabel": [
{
"@value": "Benzene",
"@language": "en",
"@lang": "en",
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],
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}
}
],
"altLabel": [
{
"@value": "1,3,5-Cyclohexatriene",
"@language": "en",
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"provenance": {
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"CAS:71-43-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=71-43-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "[6]annulene",
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}
},
{
"@value": "Benzen",
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}
},
{
"@value": "Benzine",
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}
},
{
"@value": "Benzol",
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],
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}
},
{
"@value": "benzole",
"@language": "en",
"@lang": "en",
"provenance": {
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"EF 3.1",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Bicarburet of hydrogen",
"@language": "en",
"@lang": "en",
"provenance": {
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"EF 3.1",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Coal naphtha",
"@language": "en",
"@lang": "en",
"provenance": {
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"EF 3.1",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "cyclohexatriene",
"@language": "en",
"@lang": "en",
"provenance": {
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}
},
{
"@value": "MeSH ID: D001554",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Mineral naphtha",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Phene",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "phenyl hydride",
"@language": "en",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Pyrobenzol",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Pyrobenzole",
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}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
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],
"attested_by": {
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},
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},
{
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"prov:hadPrimarySource": [
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},
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"rdfs:label": "SMILES",
"@value": [
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],
"provenance": [
{
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]
},
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],
"attested_by": {
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},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
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],
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],
"attested_by": {
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},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
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],
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},
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"@value": [
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],
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},
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],
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},
"https://w3id.org/chemrof/elemental_charge": {
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"@value": [
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},
"https://w3id.org/chemrof/IUPAC_name": {
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"rdfs:label": "IUPAC name",
"@value": [
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],
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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]
},
"attested_by": {
"Benzene": [
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]
}
}
},
"references": [
{
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works