Consensus flow list

Identity

Type
Neutral molecule
CAS
1984-59-4
EC
217-853-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,3-dichloroanisole

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HFEASCCDHUVYKU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H6Cl2O/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3
IUPAC name chemrof:IUPAC_name 2,3-dichloroanisole
Molecular formula chemrof:molecular_formula C7H6Cl2O
Molecular mass chemrof:molecular_mass 177.03
Monoisotopic mass chemrof:monoisotopic_mass 175.97957
SMILES string chemrof:smiles_string COc1cccc(Cl)c1Cl

Known URLs

7

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=1984-59-4 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.231 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1062095 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PTV27TW69Q enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J32.125G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16126 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72465415 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
be059c53-ed1d-42dc-beb9-a701e777eded Environmental → Air → Aircraft cruise height EF 3.1 kg 2
2e2b471e-3f9d-45b3-a302-a76f2ce45af6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
cd4a2395-2d80-4d60-8ef2-e7b7055930c5 Environmental → Air → Indoor EF 3.1 kg 2
1bbb2c49-eacb-4595-91ef-caa95ec06213 Environmental → Air → Long-term EF 3.1 kg 0
f754067c-db96-44ac-8ece-05d2d7b0fd71 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
6930ba46-2618-4924-b659-6249309cb82b Environmental → Air → Unknown EF 3.1 kg 2
f7c821de-be5c-4026-a1dd-7a312eb35fb1 Environmental → Ground → Agricultural EF 3.1 kg 2
8afdcffc-6cbd-4cff-8ce4-7a1f28106f83 Environmental → Ground → Non-agricultural EF 3.1 kg 2
ebb38911-6027-4c37-921d-400a9c135bf8 Environmental → Ground → Unknown EF 3.1 kg 2
7eae0f72-1f85-43d4-aee2-2bd9c83795a1 Environmental → Water → Long-term EF 3.1 kg 0
789004ad-e366-4987-be78-2a9f3ae56cf4 Environmental → Water → Ocean EF 3.1 kg 2
a96acf03-f158-496e-950f-f3ef239f4409 Environmental → Water → Surface water EF 3.1 kg 2
a6b4b50f-5cfe-4396-9351-8fdd4710e592 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-32e562eec6988432",
  "prefLabel": [
    {
      "@value": "2,3-dichloroanisole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2-Dichloro-3-methoxybenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1984-59-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,3-Dichlorophenyl methyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1984-59-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Anisole, 2,3-dichloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1,2-dichloro-3-methoxy-",
      "@language": "en",
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      "provenance": {
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      }
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  ],
  "properties": {
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        "C7H6Cl2O"
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    },
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      "provenance": [
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          ]
        },
        {
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      ],
      "attested_by": {
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "provenance": [
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          ]
        },
        {
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        }
      ],
      "attested_by": {
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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  "created_from": {
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    "seed_uuid": "1bbb2c49-eacb-4595-91ef-caa95ec06213",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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  "classifications": {
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  "@type": [
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}

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