Consensus flow list

Identity

Type
Neutral molecule
CAS
69045-84-7
EC
410-340-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 2,3-dichloro-5-trifluoromethylpyridine

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ABNQGNFVSFKJGI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H2Cl2F3N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H
IUPAC name chemrof:IUPAC_name 2,3-dichloro-5-trifluoromethylpyridine
Molecular formula chemrof:molecular_formula C6H2Cl2F3N
Molecular mass chemrof:molecular_mass 215.989
Monoisotopic mass chemrof:monoisotopic_mass 214.951639
SMILES string chemrof:smiles_string FC(F)(F)c1cnc(Cl)c(Cl)c1

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=69045-84-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.996 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.115.488 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7074080 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5F2C8LX8IE enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.077C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/112234 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27261950 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
17b4128c-9a5b-4ffc-bc26-20b5ac3b387b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9be561dc-2ba3-412b-a2cc-0d3152981ceb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
85a0da58-e546-4d91-91d3-8a83a2d812e5 Environmental → Air → Indoor EF 3.1 kg 2
eb659292-69e6-4afb-93d7-a10d7b888f1a Environmental → Air → Long-term EF 3.1 kg 0
eda4d7d9-c35a-4b14-bcb0-b2067d23b60e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
840f6551-3fe7-48d4-af98-f9982dea66e2 Environmental → Air → Unknown EF 3.1 kg 2
cece3767-44eb-42b4-8d3f-87614f15fcea Environmental → Ground → Agricultural EF 3.1 kg 2
d1d5ee53-1921-4645-ba58-0305b7689c14 Environmental → Ground → Non-agricultural EF 3.1 kg 2
cc8e1a16-025b-4c29-8c7f-c546d65eec3f Environmental → Ground → Unknown EF 3.1 kg 2
59b83469-2cea-4df1-912a-697ba5a4ffd7 Environmental → Water → Long-term EF 3.1 kg 0
38b7b6fe-5343-4a55-8985-a8dafb694d5b Environmental → Water → Ocean EF 3.1 kg 2
818fcd9a-3b23-4392-a5c9-0eb658672ce4 Environmental → Water → Surface water EF 3.1 kg 2
a197e353-ee36-44d7-8eaf-cb66d960b1ab 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-60107d40705843eb",
  "prefLabel": [
    {
      "@value": "2,3-dichloro-5-trifluoromethylpyridine",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,3-Dichloro-5-(trifluoromethyl)pyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5,6-Dichloro-3-(trifluoromethyl)pyridine",
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      }
    },
    {
      "@value": "Pyridine, 2,3-dichloro-5-(trifluoromethyl)-",
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
  "references": [
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}

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