Consensus flow list

Identity

Type
Neutral molecule
CAS
623-12-1
EC
210-772-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4-chloroanisole

Alternative labels

16

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YRGAYAGBVIXNAQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H7ClO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
IUPAC name chemrof:IUPAC_name 4-chloroanisole
Molecular formula chemrof:molecular_formula C7H7ClO
Molecular mass chemrof:molecular_mass 142.585
Monoisotopic mass chemrof:monoisotopic_mass 142.018543
SMILES string chemrof:smiles_string COc1ccc(Cl)cc1

Known URLs

8

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=623-12-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.794 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1060764 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4129 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0F18BLY08Q enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J96.203A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12167 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27236691 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
eebda713-acb7-462d-8101-4f38b6527123 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
2414e5c7-8129-4290-93e9-d9786c0ff979 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d366283e-1671-4c29-9488-d994ac697573 Environmental → Air → Indoor EF 3.1 kg 2
559c03c0-8a67-4712-abe5-8b095ef5b49c Environmental → Air → Long-term EF 3.1 kg 0
1fe6ec6e-1695-48b8-aabe-05af10f13575 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
8496e7d5-1777-4e06-ac29-da83ea8a14e6 Environmental → Air → Unknown EF 3.1 kg 2
9e32553c-dc97-4193-a703-5f99b35ac4aa Environmental → Ground → Agricultural EF 3.1 kg 2
bbdf1047-b27d-455f-8a90-c45666966c61 Environmental → Ground → Non-agricultural EF 3.1 kg 2
01507fe5-cf5e-4433-a60a-a23495fe5a41 Environmental → Ground → Unknown EF 3.1 kg 2
c9778b33-cf2d-48c8-b381-77df7c6887ef Environmental → Water → Long-term EF 3.1 kg 0
1e782e0a-a02c-4876-8174-e95148619e36 Environmental → Water → Ocean EF 3.1 kg 2
1be15c37-bc6d-44bb-871a-aefa3a6806a6 Environmental → Water → Surface water EF 3.1 kg 2
c7eb324c-fe2e-4b26-a871-0ea88976e02b Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-649a1a4e0fa2fde0",
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    {
      "@value": "4-chloroanisole",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
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    },
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    {
      "@value": "Anisole, p-chloro-",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "210-772-2"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=210-772-2"
      ],
      "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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