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2-chloro-3-(2,2,2-trifluoroethoxy)pyridine

fo-6c53522db86153d1

Identity

Type
Neutral molecule
CAS
256473-04-8
EC
700-854-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 2-chloro-3-(2,2,2-trifluoroethoxy)pyridine

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string IUTMJBMTEOTFKB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H5ClF3NO/c8-6-5(2-1-3-12-6)13-4-7(9,10)11/h1-3H,4H2
IUPAC name chemrof:IUPAC_name 2-chloro-3-(2,2,2-trifluoroethoxy)pyridine
Molecular formula chemrof:molecular_formula C7H5ClF3NO
Molecular mass chemrof:molecular_mass 211.57
Monoisotopic mass chemrof:monoisotopic_mass 211.001176
SMILES string chemrof:smiles_string FC(F)(F)COc1cccnc1Cl

Known URLs

5

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=256473-04-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.223.441 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID301036188 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12056728 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q126673641 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f0dd2ade-572a-448b-9d68-becfd0e0386b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
45d8ce55-cacf-40c6-b055-246dccf5d531 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
de414b89-be90-4c4a-b416-e300e0de3581 Environmental → Air → Indoor EF 3.1 kg 2
435d71f2-e29f-4d3d-828f-d574f612978b Environmental → Air → Long-term EF 3.1 kg 0
4a5e1a10-2d8f-425a-b7fc-5c2365a0c1ad Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
d22dd65c-ce48-42b0-9f76-c08b87b1c250 Environmental → Air → Unknown EF 3.1 kg 2
9a7c5aa6-0d38-4260-a267-277f3ca49cf4 Environmental → Ground → Agricultural EF 3.1 kg 2
fb0c986d-b7e2-4bd7-a7cd-f5ce32d375d0 Environmental → Ground → Non-agricultural EF 3.1 kg 2
55ec9688-31c8-42e6-885d-6503987a4d92 Environmental → Ground → Unknown EF 3.1 kg 2
51c300c4-04bb-421b-be06-980ec11932f3 Environmental → Water → Long-term EF 3.1 kg 0
37d504da-ae72-463b-8f47-289b6368cf95 Environmental → Water → Ocean EF 3.1 kg 2
252fc739-e1a9-4f50-b629-a11e477bc680 Environmental → Water → Surface water EF 3.1 kg 2
8313afd4-ad32-4c34-adc7-8fc1afed3c83 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-6c53522db86153d1",
  "prefLabel": [
    {
      "@value": "2-chloro-3-(2,2,2-trifluoroethoxy)pyridine",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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    }
  ],
  "altLabel": [
    {
      "@value": "Pyridine, 2-chloro-3-(2,2,2-trifluoroethoxy)-",
      "@language": "en",
      "@lang": "en",
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  "properties": {
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    },
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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          ]
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        }
      ],
      "attested_by": {
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
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      ],
      "provenance": [
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        },
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          ]
        }
      ],
      "attested_by": {
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        ]
      },
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    }
  },
  "references": [
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  "created_from": {
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    "seed_uuid": "252fc739-e1a9-4f50-b629-a11e477bc680",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
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      "types": [
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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