Consensus flow list

Identity

Type
Neutral molecule
CAS
608-31-1
EC
210-160-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2,6-dichloroaniline

Alternative labels

5

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string JDMFXJULNGEPOI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
IUPAC name chemrof:IUPAC_name 2,6-dichloroaniline
Molecular formula chemrof:molecular_formula C6H5Cl2N
Molecular mass chemrof:molecular_mass 162.019
Monoisotopic mass chemrof:monoisotopic_mass 160.9799, 160.979905
SMILES string chemrof:smiles_string Nc1c(Cl)cccc1Cl

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
beilstein beilstein:775084 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=608-31-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:46630 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.237 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0143 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5044449 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL28368 enrich_references.pubchem_identifier_url
gmelin gmelin:201088 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/KG3RW7NW6M enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J134.696B enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56665 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11846 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1590 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q2145677 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2,6-Dichloroaniline enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
38d65e26-de3f-48a3-a88c-2dcd8d114c35 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
80a92fbc-d861-468d-8701-d0cfc743c93f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6cd941ef-2759-4d4b-8e4a-22ccda170a85 Environmental → Air → Indoor EF 3.1 kg 2
69366cd5-7ab6-4dc8-a5ef-24efd75aa429 Environmental → Air → Long-term EF 3.1 kg 0
8d62815a-eda0-4852-a9ab-026b5e2843fc Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
1e490934-b097-4ca7-afa2-16fa31c8927d Environmental → Air → Unknown EF 3.1 kg 2
ac456dbe-0ef0-46bf-bbad-b6e1ee09f4a5 Environmental → Ground → Agricultural EF 3.1 kg 2
99a8ba84-9744-42b9-8836-1a67b50aa964 Environmental → Ground → Non-agricultural EF 3.1 kg 2
b26b1c2e-2a02-4fb8-8ed1-118c160cf740 Environmental → Ground → Unknown EF 3.1 kg 2
178559c3-553e-4fad-8aae-db0771bbe97c Environmental → Water → Long-term EF 3.1 kg 0
70542e5e-9cec-4bc2-ae3e-12c7076818ce Environmental → Water → Ocean EF 3.1 kg 2
8a83bbb8-c750-4b03-9b21-b2f5e89eb8a7 Environmental → Water → Surface water EF 3.1 kg 2
83548f4d-373d-4bf6-adef-f69ce0a1bf4e 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
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        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=608-31-1"
        }
      ],
      "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": [
        "210-160-5"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=210-160-5"
      ],
      "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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