Brightway Flows 1.0
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3,5-dichloroanisole

fo-18ad354cc703507b

Identity

Type
Neutral molecule
CAS
33719-74-3
EC
251-655-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 3,5-dichloroanisole

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string SSNXYMVLSOMJLU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H6Cl2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
IUPAC name chemrof:IUPAC_name 3,5-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 COc1cc(Cl)cc(Cl)c1

Known URLs

6

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=33719-74-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.046.945 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80187404 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J88.881H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/36588 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q72465422 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c68a5583-06ad-4872-bd3b-38e15c43e111 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6e61107a-1ecb-4ea3-9d30-a873c3f92e0a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
096f5a7a-8bba-4aa8-b230-0d22ff4233d4 Environmental → Air → Indoor EF 3.1 kg 2
d4b1000d-94b5-45a7-962a-b36860c08459 Environmental → Air → Long-term EF 3.1 kg 0
ba3e8762-bad1-4e46-a84f-e4cce3e34fce Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9867161b-4aa7-43ca-a14a-a388b739faa0 Environmental → Air → Unknown EF 3.1 kg 2
3dabb7d0-893b-4243-8177-54d0df5ef0b8 Environmental → Ground → Agricultural EF 3.1 kg 2
0c1fc012-72b8-4e15-95ec-e2b0d5a056b8 Environmental → Ground → Non-agricultural EF 3.1 kg 2
2e5a720f-da35-41c6-a049-aa7d4b743062 Environmental → Ground → Unknown EF 3.1 kg 2
0a02e818-b8b9-468e-a405-7b684e04e5df Environmental → Water → Long-term EF 3.1 kg 0
96f83c7a-7712-4756-9444-44811ef25a6f Environmental → Water → Ocean EF 3.1 kg 2
6d2c5588-311a-4bf9-82fa-f2a4fa966d25 Environmental → Water → Surface water EF 3.1 kg 2
111a888f-3fe2-4b71-9b4a-6e01416864b8 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-18ad354cc703507b",
  "prefLabel": [
    {
      "@value": "3,5-dichloroanisole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Dichloro-5-methoxybenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=33719-74-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Anisole, 3,5-dichloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1,3-dichloro-5-methoxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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        "C7H6Cl2O"
      ],
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        ]
      },
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "InChI",
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "@value": [
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      ],
      "provenance": {
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      },
      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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          "prov:wasAttributedTo": "brightway-flows",
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        },
        {
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          "prov:wasAttributedTo": "brightway-flows",
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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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          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
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        },
        {
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          "prov:wasAttributedTo": "brightway-flows",
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        }
      ],
      "attested_by": {
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          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J88.881H",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers[33719-74-3]"
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "096f5a7a-8bba-4aa8-b230-0d22ff4233d4",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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      }
    }
  },
  "classifications": {
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      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=33719-74-3"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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        }
      ],
      "provenance": {
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        "prov:wasDerivedFrom": "ec_numbers"
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  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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