Consensus flow list

Identity

Type
Neutral molecule
CAS
58138-08-2
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Tridiphane

Alternative labels

4

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IBZHOAONZVJLOB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H7Cl5O/c11-7-1-6(2-8(12)3-7)9(5-16-9)4-10(13,14)15/h1-3H,4-5H2
IUPAC name chemrof:IUPAC_name 2-(3,5-Dichlorophenyl)-2-(2,2,2-trichloroethyl)oxirane
Molecular formula chemrof:molecular_formula C10H7Cl5O
Molecular mass chemrof:molecular_mass 320.43
Monoisotopic mass chemrof:monoisotopic_mass 317.89395, 317.893953
SMILES string chemrof:smiles_string Clc1cc(Cl)cc(C2(CC(Cl)(Cl)Cl)CO2)c1

Known URLs

11

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=58138-08-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82251 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.307.657 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8024365 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Z5677LQE6J enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J126.285H enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19130 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19130 enrich_references.pubchem_identifier_url
ppdb ppdb:662 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/73669 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q22809031 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
973cfef8-7712-40d2-be9d-71fa1c8869b0 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
c9d21246-138e-463a-a390-6b6a4766c87a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
68f5a650-22dd-41d6-aa24-d65be7fd0507 Environmental → Air → Indoor EF 3.1 kg 4
da33de57-b3bb-4b47-9c3e-27cb472a564d Environmental → Air → Long-term EF 3.1 kg 0
5ed383af-a480-4dfb-bd3b-da822e0f1693 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
a4b4aa92-cff4-49ee-b569-4025c92c89ca Environmental → Air → Unknown EF 3.1 kg 4
f0ed8171-1fe9-4ee3-aff3-076d0730679f Environmental → Ground → Agricultural EF 3.1 kg 4
1a0b9e38-04ad-42d3-8ddb-810d46c6930a Environmental → Ground → Non-agricultural EF 3.1 kg 4
fef2683c150d755e5f05dc879a5c8d3e93534f51 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
365dabcf-66cb-4802-bc25-bce4d145aee0 Environmental → Ground → Unknown EF 3.1 kg 4
49b5e80e-99ea-444d-ab01-a58ac2cadab2 Environmental → Water → Long-term EF 3.1 kg 0
e59e7966-931c-4d73-b53e-ddae2680b0d4 Environmental → Water → Ocean EF 3.1 kg 4
6875457b-1e20-439c-b886-f1d8c19eb7b0 Environmental → Water → Surface water EF 3.1 kg 4
ff526cc0-2140-4879-900c-0b7b0a8dc609 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-0aea59b343e2252a",
  "prefLabel": [
    {
      "@value": "Tridiphane",
      "@language": "en",
      "@lang": "en",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-(3,5-dichlorophenyl)-2-(2,2,2-trichloroethly)oxirane",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "2-(3,5-Dichlorophenyl)-2-(2,2,2-trichloroethyl)oxirane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nelpon",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Oxirane, 2-(3,5-dichlorophenyl)-2-(2,2,2-trichloroethyl)-",
      "@language": "en",
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  "properties": {
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        "C10H7Cl5O"
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