Consensus flow list

Identity

Type
Neutral molecule
CAS
137-19-9
EC
205-284-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4,6-dichlororesorcinol

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GRLQBYQELUWBIO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H4Cl2O2/c7-3-1-4(8)6(10)2-5(3)9/h1-2,9-10H
IUPAC name chemrof:IUPAC_name 4,6-dichlororesorcinol
Molecular formula chemrof:molecular_formula C6H4Cl2O2
Molecular mass chemrof:molecular_mass 179.002
Monoisotopic mass chemrof:monoisotopic_mass 177.958835
SMILES string chemrof:smiles_string Oc1cc(O)c(Cl)cc1Cl

Known URLs

9

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=137-19-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.804 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8021563 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=60650 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2332783 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/AC3AZC6BG7 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J79.456B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/67299 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81983803 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4a28dcfc-a18e-434e-ad25-98554720ca78 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
93342839-1763-4bb1-a70a-2f5fe6792814 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
b95cdabb-3d25-426d-80ff-ec1f6d898a74 Environmental → Air → Indoor EF 3.1 kg 2
073bc494-95a6-4593-84db-8d3245db1858 Environmental → Air → Long-term EF 3.1 kg 0
e28615d4-cb19-400a-abaa-c482d6fe3b7a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
362ed4d1-21e8-433d-b27f-3ac4fd77bf7b Environmental → Air → Unknown EF 3.1 kg 2
f6e527f1-e2a8-4667-a193-cc904ed47c97 Environmental → Ground → Agricultural EF 3.1 kg 2
a8ab5141-bf58-4538-8574-56e2af4f5569 Environmental → Ground → Non-agricultural EF 3.1 kg 2
a7637b0a-624d-409c-8aae-7bc18df7f038 Environmental → Ground → Unknown EF 3.1 kg 2
8de04b75-59b6-4a6f-b2b1-e0feb613a035 Environmental → Water → Long-term EF 3.1 kg 0
1e1a45c2-2bb4-4294-aafe-7260bdfaf9cf Environmental → Water → Ocean EF 3.1 kg 2
ed1a6810-c36f-4f1b-926e-328ea82537c1 Environmental → Water → Surface water EF 3.1 kg 2
34179326-88f9-4b4d-92be-e7bd7e169250 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-456d5247e27410ef",
  "prefLabel": [
    {
      "@value": "4,6-dichlororesorcinol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Benzenediol, 4,6-dichloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=137-19-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,5-Dichloro-2,4-dihydroxybenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,6-Dichloro-1,3-benzenediol",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,6-Dichlororesorcin",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Resorcinol, 4,6-dichloro-",
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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