Consensus flow list

Identity

Type
Neutral molecule
CAS
103577-66-8
EC
428-200-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Idrossimetil-trifluoroetossi Piridina

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GNILTGRCVCMPFJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H10F3NO2/c1-6-7(4-14)13-3-2-8(6)15-5-9(10,11)12/h2-3,14H,4-5H2,1H3
IUPAC name chemrof:IUPAC_name 2-Hydroxymethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine
Molecular formula chemrof:molecular_formula C9H10F3NO2
Molecular mass chemrof:molecular_mass 221.178
Monoisotopic mass chemrof:monoisotopic_mass 221.066363
SMILES string chemrof:smiles_string Cc1c(OCC(F)(F)F)ccnc1CO

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=103577-66-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.102.659 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.128.806 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50459448 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/AJR7D4YGL7 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J355.023K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11229760 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72485383 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
100db123-b3c7-413e-a3db-658ff7408769 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
49f90f25-3332-4f9e-a1f6-f10019874631 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
5344b4dd-84ee-4ff4-8fd9-42b4725964a1 Environmental → Air → Indoor EF 3.1 kg 4
97f861d1-398f-46b1-b5a0-43be6fd45110 Environmental → Air → Long-term EF 3.1 kg 0
7c308168-710d-4fc5-a6e3-de8e77ca24f9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
3a0a94c0-881d-4d70-9d4e-fe7cfb8fbe73 Environmental → Air → Unknown EF 3.1 kg 4
8bb9090a-ee92-4b7a-b35c-98b6d552ace9 Environmental → Ground → Agricultural EF 3.1 kg 4
cfc7017c-ebe5-4e90-8c37-27a9ea10f0d3 Environmental → Ground → Non-agricultural EF 3.1 kg 4
8883e06d-ef0a-40e6-b426-c5172f49a38f Environmental → Ground → Unknown EF 3.1 kg 4
4fa64ea8-8484-46b8-a815-cb86448949a7 Environmental → Water → Long-term EF 3.1 kg 0
6260eac0-52f4-4902-890c-31a2ca71a13e Environmental → Water → Ocean EF 3.1 kg 4
9a3be557-5c1f-448a-a3ce-c757d495c692 Environmental → Water → Surface water EF 3.1 kg 4
c45cb3a6-43e1-4526-9b4f-66aa990375e9 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-57a014d1d97d22b7",
  "prefLabel": [
    {
      "@value": "Idrossimetil-trifluoroetossi Piridina",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Hydroxymethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=103577-66-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Hydroxymethyl-3-methyl-4-trifluoroethoxypyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Pyridinemethanol, 3-methyl-4-(2,2,2-trifluoroethoxy)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinemethanol",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "[3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanol",
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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