Consensus flow list

Identity

Type
Neutral molecule
CAS
3064-70-8
EC
221-310-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Bis(trichloromethyl) Sulphone

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YBNLWIZAWPBUKQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C2Cl6O2S/c3-1(4,5)11(9,10)2(6,7)8
IUPAC name chemrof:IUPAC_name Bis(trichloromethyl) Sulphone
Molecular formula chemrof:molecular_formula C2Cl6O2S
Molecular mass chemrof:molecular_mass 300.805
Monoisotopic mass chemrof:monoisotopic_mass 297.775016
SMILES string chemrof:smiles_string O=S(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

Known URLs

10

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=3064-70-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.019.374 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3032331 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=21713 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3561446 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PTZ0QE9824 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J28.312F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/62478 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1759 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27286750 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
befd3c17-c5a5-45df-9da6-6a48ca224976 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
8be99e1b-ae46-4752-8d07-cded93ba8064 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
bc93c2d0-3017-4247-aba4-2f76053ab644 Environmental → Air → Indoor EF 3.1 kg 2
be574fb5-590c-4ff3-a58f-2ed1212be358 Environmental → Air → Long-term EF 3.1 kg 0
7eab95d0-3b44-4bb4-ae6b-ca97700b71e3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
f90e0133-5da8-41aa-938c-6bc19b036f14 Environmental → Air → Unknown EF 3.1 kg 2
32770e31-2c1e-408a-aa3d-0d7a4d7ef1d0 Environmental → Ground → Agricultural EF 3.1 kg 2
b94ca3a6-ccc5-4889-97c1-07bd2a564648 Environmental → Ground → Non-agricultural EF 3.1 kg 2
f474cc78c28a6af67ee3ac394cb9b12953c28b07 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
dea4c1d7-5047-4a93-8fef-abf01d02a413 Environmental → Ground → Unknown EF 3.1 kg 2
943b73a4-e4e8-4d06-b652-a5c9afc6ba2b Environmental → Water → Long-term EF 3.1 kg 0
8dbccdd4-6466-451b-87ee-01090f7b292c Environmental → Water → Ocean EF 3.1 kg 2
a5466c59-525e-4b1b-a8b1-ef3436ed0890 Environmental → Water → Surface water EF 3.1 kg 2
1ffa2245-3195-4261-b323-992a6bab4b05 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-31755fb758215528",
  "prefLabel": [
    {
      "@value": "Bis(trichloromethyl) Sulphone",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,1′-Sulfonylbis[1,1,1-trichloromethane]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3064-70-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis(trichloromethyl) sulfone",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chlorosulfona",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexachlorodimethyl sulfone",
      "@language": "en",
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      }
    },
    {
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    },
    {
      "@value": "Methane, sulfonylbis[trichloro-",
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    {
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}

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