Consensus flow list

Identity

Type
Neutral molecule
CAS
104-85-8
EC
203-244-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for P-toluonitrile

Alternative labels

15

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string VCZNNAKNUVJVGX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H7N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H3
IUPAC name chemrof:IUPAC_name 1-Cyano-4-methylbenzene
Molecular formula chemrof:molecular_formula C8H7N
Molecular mass chemrof:molecular_mass 117.151
Monoisotopic mass chemrof:monoisotopic_mass 117.057849
SMILES string chemrof:smiles_string Cc1ccc(C#N)cc1

Known URLs

10

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
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=104-85-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.950 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6026169 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=70985 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1386404 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/H20555V8NO enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J10.115J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7724 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3273 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27279529 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ec64225d-c41a-4f27-b245-9108d925d463 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
20035136-b28d-4a2e-8dff-6222a2574aac Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
4db5dc25-3b2a-42b4-99f1-35792d7e1396 Environmental → Air → Indoor EF 3.1 kg 2
c2fdd5f8-a795-478e-a497-6d14cbf824ea Environmental → Air → Long-term EF 3.1 kg 0
b31f72f9-c304-4160-a0a8-a88d6d9af75a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4bb8c3a5-3cfb-4bcb-b0ef-458a6c623bc4 Environmental → Air → Unknown EF 3.1 kg 2
079446f3-3797-4394-b0bc-b3349e4be8ef Environmental → Ground → Agricultural EF 3.1 kg 2
a8fbb349-1aa5-4cda-9016-541477036e8e Environmental → Ground → Non-agricultural EF 3.1 kg 2
b64add43-0af6-47db-be8c-d936f60150df Environmental → Ground → Unknown EF 3.1 kg 2
9ceda15e-24f4-4445-9aaf-bba8c72e1bdd Environmental → Water → Long-term EF 3.1 kg 0
3c7ce853-5fd1-4c54-8b91-d60394334d91 Environmental → Water → Ocean EF 3.1 kg 2
aa80f14a-d2ff-4d90-98cb-f23dbc9ac6be Environmental → Water → Surface water EF 3.1 kg 2
6f7c6660-61fe-40fb-97d1-f32c026a597b Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-e1ce790ac3a4957b",
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      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=104-85-8"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=104-85-8"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "203-244-8"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=203-244-8"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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