Consensus flow list

Identity

Type
NeutralMolecule
CAS
130841-23-5
EC
620-459-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzene

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WDTRKHSHZIJORU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H3Cl2F6NO3/c10-3-2-6(4(11)1-5(3)18(19)20)21-9(16,17)7(12)8(13,14)15/h1-2,7H
IUPAC name chemrof:IUPAC_name 1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzene
Molecular formula chemrof:molecular_formula C9H3Cl2F6NO3
Molecular mass chemrof:molecular_mass 358.021
Monoisotopic mass chemrof:monoisotopic_mass 356.939418
SMILES string chemrof:smiles_string O=[N+]([O-])c1cc(Cl)c(OC(F)(F)C(F)C(F)(F)F)cc1Cl

Known URLs

7

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=130841-23-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.101.457 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.119.384 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60591520 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J488.478G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/17897697 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82485303 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
94612448-67dc-490b-89c7-faa067c83976 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
88d1625e-9ed2-44e6-8cab-51bf4fe26972 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2d1812e2-84f3-457e-b48f-603893075400 Environmental → Air → Indoor EF 3.1 kg 2
1cf796b1-7e67-49f4-a356-cdbaeb91917f Environmental → Air → Long-term EF 3.1 kg 0
540618b1-4f19-4c68-ad89-7ddef953933c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9692e585-e857-4050-8e77-88cfaa631159 Environmental → Air → Unknown EF 3.1 kg 2
b5d7229a-812f-41bc-ba67-722001fcbcb8 Environmental → Ground → Agricultural EF 3.1 kg 2
48c9b4a3-e0a9-4d07-93af-c7268b35e615 Environmental → Ground → Non-agricultural EF 3.1 kg 2
e496ad39-af40-4f64-829a-a578e5e37c9a Environmental → Ground → Unknown EF 3.1 kg 2
9fc56809-d5fc-4067-9784-f7aab47efca6 Environmental → Water → Long-term EF 3.1 kg 0
55ff6e74-7937-437d-ac71-26fb876c3874 Environmental → Water → Ocean EF 3.1 kg 2
46d498d8-f156-4b57-8a7f-bc484dec8156 Environmental → Water → Surface water EF 3.1 kg 2
1b6b60f9-e181-4fe0-b8aa-420a9d149d21 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f45f9c87836a1a60",
  "prefLabel": [
    {
      "@value": "1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,4-Dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzen",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitro-",
      "@language": "en",
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  "properties": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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          ]
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  },
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}

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