Consensus flow list

Identity

Type
Neutral molecule
CAS
95-51-2
EC
202-426-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2-chloroaniline

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AKCRQHGQIJBRMN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
IUPAC name chemrof:IUPAC_name 2-chloroaniline
Molecular formula chemrof:molecular_formula C6H6ClN
Molecular mass chemrof:molecular_mass 127.574
Monoisotopic mass chemrof:monoisotopic_mass 127.018877
SMILES string chemrof:smiles_string Nc1ccccc1Cl

Known URLs

15

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=95-51-2 enrich_references.consensus_cas_link
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=98038-21-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.207 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0129 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2021810 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6183 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL389885 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/G14I494T2F enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0245064 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.759.603G enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.952G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7240 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2019 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018998 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q2294431 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f74c05ec-779e-492d-ac92-5129672bbf88 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
c31eb09b-a300-4abc-afa4-b55b86b49676 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
cb909295-33b3-4df1-887d-58c453d0fc7c Environmental → Air → Indoor EF 3.1 kg 4
3fcfb622-b2e5-4414-be25-654d3b82f4e3 Environmental → Air → Long-term EF 3.1 kg 0
36d27721-8e8d-48ed-96b3-3167c2a95df5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
21fc74e4-871f-4f7c-ba23-46e7e6e5f7d5 Environmental → Air → Unknown EF 3.1 kg 4
5fead6c7-efa5-4464-88f5-8c4e9e218657 Environmental → Ground → Agricultural EF 3.1 kg 4
206e47a8-d925-42b7-bd2e-708853a78221 Environmental → Ground → Non-agricultural EF 3.1 kg 4
6ffdd160-21fc-4447-9b6c-c76cf8c472f4 Environmental → Ground → Unknown EF 3.1 kg 4
0777b6b8-fe92-4747-9315-bdb377957c41 Environmental → Water → Long-term EF 3.1 kg 0
a2f9de8b-3e70-434f-b967-d9a5cbf90e54 Environmental → Water → Ocean EF 3.1 kg 4
a8c04492-ddef-4871-837e-e33c7e731ea1 Environmental → Water → Surface water EF 3.1 kg 4
bae97072-ec89-4365-831d-8461f941ebf3 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
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    {
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      "@value": "Aniline, o-chloro-",
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      "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": [
        "202-426-4"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=202-426-4"
      ],
      "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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