Brightway Flows 1.0
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HG-01

fo-ba42385090482a6d

Identity

Type
Neutral molecule
CAS
188690-78-0
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
46 across every transformer

Structure

Structure diagram for HG-01

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YLKPVUPQPLZCQV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H2F8O2/c5-1(6)13-3(9,10)4(11,12)14-2(7)8/h1-2H
IUPAC name chemrof:IUPAC_name 1,2-Bis(difluoromethoxy)-1,1,2,2-tetrafluoroethane
Molecular formula chemrof:molecular_formula C4H2F8O2
Molecular mass chemrof:molecular_mass 234.042
Monoisotopic mass chemrof:monoisotopic_mass 233.992705
SMILES string chemrof:smiles_string FC(F)OC(F)(F)C(F)(F)OC(F)F

Known URLs

5

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=188690-78-0 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80940374 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J845.831F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9859472 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q66084537 enrich_references.pubchem_identifier_url

Elementary flows

11
Flow Context Source Unit CFs
e01b83a4-7535-4d93-bd6d-ec34a5edce7e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
4fe90b9b-844e-4a70-a8a3-b183ccbedfd6 Environmental → Air → Long-term EF 3.1 kg 2
44417467-f82d-4f57-82ea-59f2fe02a129 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
eb42f405-3ab2-44aa-9a37-436dfef1e9f7 Environmental → Air → Unknown EF 3.1 kg 2
f8857d63-6216-454f-b7f1-52bc54ac36ab Environmental → Ground → Agricultural EF 3.1 kg 0
b914dc0e-b411-4c2e-a196-ac12bf9460a8 Environmental → Ground → Non-agricultural EF 3.1 kg 0
dc8c7a79-da5c-43c5-bb70-3b9708099ea8 Environmental → Ground → Unknown EF 3.1 kg 0
90b5646f-5ed3-4f10-9bf8-3993b78d4e9d Environmental → Water → Long-term EF 3.1 kg 0
4dcb80a1-8129-41e9-b5c6-0b2198571817 Environmental → Water → Ocean EF 3.1 kg 0
85425edd-0ce1-466f-93ba-0c7e0fc73d11 Environmental → Water → Surface water EF 3.1 kg 0
ef5e72e1-54fc-47c2-8009-782801937c47 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (46 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-ba42385090482a6d",
  "prefLabel": [
    {
      "@value": "HG-01",
      "@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-Bis(difluoromethoxy)-1,1,2,2-tetrafluoroethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:188690-78-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=188690-78-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Difluoromethoxy-1,1,2,2-tetrafluoroethyl difluoromethyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:188690-78-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=188690-78-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethane, 1,2-bis(difluoromethoxy)-1,1,2,2-tetrafluoro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:188690-78-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=188690-78-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "HFE 338pcc13",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:188690-78-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=188690-78-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "HFE-338pcc13 (HG-01)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "carry_member_names",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "source_flow_name"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C4H2F8O2"
      ],
      "attested_by": {
        "C4H2F8O2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:9859472"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)OC(F)(F)C(F)(F)OC(F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "YLKPVUPQPLZCQV-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "YLKPVUPQPLZCQV-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:9859472"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)OC(F)(F)C(F)(F)OC(F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "FC(F)OC(F)(F)C(F)(F)OC(F)F"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,2-Bis(difluoromethoxy)-1,1,2,2-tetrafluoroethane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)OC(F)(F)C(F)(F)OC(F)F"
          ]
        }
      ],
      "attested_by": {
        "FC(F)OC(F)(F)C(F)(F)OC(F)F": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C4H2F8O2/c5-1(6)13-3(9,10)4(11,12)14-2(7)8/h1-2H"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,2-Bis(difluoromethoxy)-1,1,2,2-tetrafluoroethane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)OC(F)(F)C(F)(F)OC(F)F"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C4H2F8O2/c5-1(6)13-3(9,10)4(11,12)14-2(7)8/h1-2H": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "1,2-Bis(difluoromethoxy)-1,1,2,2-tetrafluoroethane"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "1,2-Bis(difluoromethoxy)-1,1,2,2-tetrafluoroethane"
        ]
      },
      "attested_by": {
        "1,2-Bis(difluoromethoxy)-1,1,2,2-tetrafluoroethane": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        234.042
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(OC(C(OC(F)F)(F)F)(F)F)(F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)OC(F)(F)C(F)(F)OC(F)F"
          ]
        }
      ],
      "attested_by": {
        "234.042": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "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": [
        233.992705
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(OC(C(OC(F)F)(F)F)(F)F)(F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)OC(F)(F)C(F)(F)OC(F)F"
          ]
        }
      ],
      "attested_by": {
        "233.992705": [
          "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=J845.831F",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9859472;CAS:188690-78-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[188690-78-0]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=188690-78-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9859472;CAS:188690-78-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[188690-78-0]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID80940374",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9859472;CAS:188690-78-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[188690-78-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/9859472",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9859472;CAS:188690-78-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[188690-78-0]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q66084537",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9859472;CAS:188690-78-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[188690-78-0]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "44417467-f82d-4f57-82ea-59f2fe02a129",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "188690-78-0"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=188690-78-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=188690-78-0"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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