P-toluonitrile

1-Cyano-4-methylbenzene
4-Cyanotoluene
4-Methylbenzonitrile
4-Methylcyanobenzene
4-Methylphenyl cyanide
4-Methylphenylnitrile
4-Toluenitrile
4-Tolyl cyanide
Benzonitrile, 4-methyl-
p-Cyanotoluene
p-Methylbenzonitrile
p-Toluenenitrile
p-Tolunitrile
p-Tolyl cyanide
p-Tolylnitrile

Property	Value
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

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	https://www.wikidata.org/wiki/Q27279529	enrich_references.pubchem_identifier_url

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

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

{
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    {
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    {
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        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "104-85-8"
      ],
      "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": {
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        "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"
  ]
}

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

P-toluonitrile

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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