Consensus flow list

Identity

Type
Neutral molecule
CAS
100-47-0
EC
202-855-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Benzonitrile

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string JFDZBHWFFUWGJE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
IUPAC name chemrof:IUPAC_name Benzonitrile
Molecular formula chemrof:molecular_formula C7H5N
Molecular mass chemrof:molecular_mass 103.124
Monoisotopic mass chemrof:monoisotopic_mass 103.042199, 103.0422
SMILES string chemrof:smiles_string N#Cc1ccccc1

Known URLs

24

Where 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
beilstein beilstein:506893 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=100-47-0 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=26809-03-0 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27991 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.596 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1103 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7021491 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8039 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL15819 enrich_references.pubchem_identifier_url
gmelin gmelin:2653 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9V9APP5H5S enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2926.90.08.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.590D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C09814 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C09814 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=51548 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-15582 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7505 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2224 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=045566 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/24129580 enrich_references.chebi_xrefs
umbbd.compound umbbd.compound:c0367 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q412567 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Benzonitrile enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
e7f0d1d8-fc65-4433-8eed-555abf7da322 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d1ba7b26-a464-48ae-b0be-1e316c7482bc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
14d4e8b0-2fc8-4c33-8cda-6b0c34822547 Environmental → Air → Indoor EF 3.1 kg 2
09fe7c3e-df22-4c2d-8357-6590dfbac74a Environmental → Air → Long-term EF 3.1 kg 0
1da1a97c-8d00-4778-905a-6459f6efda21 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
adf023c7-63ce-42f1-a34b-a8edb768d562 Environmental → Air → Unknown EF 3.1 kg 2
ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a Environmental → Ground → Agricultural EF 3.1 kg 2
243c7e7d-8028-472e-b0e8-1c8b1d75c7c6 Environmental → Ground → Non-agricultural EF 3.1 kg 2
ed854db9-9a9f-4105-b0a9-c6141b01fbc4 Environmental → Ground → Unknown EF 3.1 kg 2
627914df-4ab0-4769-a697-3b0cf0ad74bc Environmental → Water → Long-term EF 3.1 kg 0
06a2038e-ac0a-490b-8777-587c0a72809e Environmental → Water → Ocean EF 3.1 kg 2
78570ceb-c50c-4459-bd60-349c20c24407 Environmental → Water → Surface water EF 3.1 kg 2
db71e8c7-c3a8-4ba9-a68a-00de6cbbfd6e Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
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  ],
  "altLabel": [
    {
      "@value": "Benzene, cyano-",
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    },
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    {
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