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3,3-Dichloro-1,1,1,2,2-pentafluoropropane

fo-6aba9b5b3a540279

Identity

Type
Neutral molecule
CAS
422-56-0
EC
207-016-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
52 across every transformer

Structure

Structure diagram for 3,3-Dichloro-1,1,1,2,2-pentafluoropropane

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string COAUHYBSXMIJDK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3HCl2F5/c4-1(5)2(6,7)3(8,9)10/h1H
IUPAC name chemrof:IUPAC_name 3,3-Dichloro-1,1,1,2,2-pentafluoropropane
Molecular formula chemrof:molecular_formula C3HCl2F5
Molecular mass chemrof:molecular_mass 202.937
Monoisotopic mass chemrof:monoisotopic_mass 201.937546
SMILES string chemrof:smiles_string FC(F)(F)C(F)(F)C(Cl)Cl

Known URLs

8

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=422-56-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.006.380 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1042027 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0976Z0010M enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J196.090C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/61112 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3082 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q27236466 enrich_references.pubchem_identifier_url

Elementary flows

12
Flow Context Source Unit CFs
0d795078-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 3
08a91e70-3ddc-11dd-9861-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 3
08a91e70-3ddc-11dd-9860-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 3
08a91e70-3ddc-11dd-9862-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 3
08a91e70-3ddc-11dd-985f-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 3
0d795076-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Agricultural EF 3.1 kg 0
0d795079-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Non-agricultural EF 3.1 kg 0
0d79507b-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Unknown EF 3.1 kg 0
0d79507d-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Long-term EF 3.1 kg 0
0d79507a-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Ocean EF 3.1 kg 0
0d795077-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Surface water EF 3.1 kg 0
0d79507c-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-6aba9b5b3a540279",
  "prefLabel": [
    {
      "@value": "3,3-Dichloro-1,1,1,2,2-pentafluoropropane",
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,1,1,2,2-Pentafluoro-3,3-dichloropropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,1-Dichloro-2,2,3,3,3-pentafluoropropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "HCFC 225ca",
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        "prov:wasDerivedFrom": "name the fix replaced, retained as altLabel"
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    },
    {
      "@value": "Propane, 3,3-dichloro-1,1,1,2,2-pentafluoro-",
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}

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