Consensus flow list

Identity

Type
NeutralMolecule
CAS
422-86-6
EC
207-024-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
52 across every transformer

Structure

Structure diagram for 1-Chloro-1,1,2,2,3,3,3-heptafluoropropane

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XXSZLFRJEKKBDJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3ClF7/c4-2(7,8)1(5,6)3(9,10)11
IUPAC name chemrof:IUPAC_name 1-Chloro-1,1,2,2,3,3,3-heptafluoropropane
Molecular formula chemrof:molecular_formula C3ClF7
Molecular mass chemrof:molecular_mass 204.472
Monoisotopic mass chemrof:monoisotopic_mass 203.957675
SMILES string chemrof:smiles_string FC(F)(F)C(F)(F)C(F)(F)Cl

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=422-86-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.006.387 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8059972 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J196.095D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/61113 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81989018 enrich_references.pubchem_identifier_url

Elementary flows

12
Flow Context Source Unit CFs
0d795088-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
08a91e70-3ddc-11dd-9865-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
08a91e70-3ddc-11dd-9864-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-ab26-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
08a91e70-3ddc-11dd-9863-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 0
0d795086-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Agricultural EF 3.1 kg 0
0d795089-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Non-agricultural EF 3.1 kg 0
0d79508b-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Unknown EF 3.1 kg 0
0d79508d-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Long-term EF 3.1 kg 0
0d79508a-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Ocean EF 3.1 kg 0
0d795087-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Surface water EF 3.1 kg 0
0d79508c-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (52 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-1193f359f7f6b51c",
  "prefLabel": [
    {
      "@value": "1-Chloro-1,1,2,2,3,3,3-heptafluoropropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Chloroheptafluoropropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=422-86-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Chloro-1,1,1,2,2,3,3-heptafluoropropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "CFC 217ca",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "CFC-217",
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        "prov:wasDerivedFrom": "name the fix replaced, retained as altLabel"
      }
    },
    {
      "@value": "Perfluoropropyl chloride",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Propane, 1-chloro-1,1,2,2,3,3,3-heptafluoro-",
      "@language": "en",
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      }
    },
    {
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      }
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    },
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    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
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      ],
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
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      "provenance": {
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      },
      "attested_by": {
        "1-Chloro-1,1,2,2,3,3,3-heptafluoropropane": [
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      ],
      "provenance": [
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          "prov:hadPrimarySource": [
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          ]
        },
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
  "references": [
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  "created_from": {
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    "seed_uuid": "08a91e70-3ddc-11dd-9863-0050c2490048",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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  "classifications": {
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  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
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}

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