Consensus flow list

Identity

Type
NeutralMolecule
CAS
76674-21-0
EC
616-367-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Flutriafol

What it is used for

3

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
fungicide CHEBI:24127 A substance used to destroy fungal pests. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string JWUCHKBSVLQQCO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2
IUPAC name chemrof:IUPAC_name (+-)-1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol
Molecular formula chemrof:molecular_formula C16H13F2N3O
Molecular mass chemrof:molecular_mass 301.291, 301.296
Monoisotopic mass chemrof:monoisotopic_mass 301.102668, 301.10267
SMILES string chemrof:smiles_string OC(Cn1cncn1)(c1ccc(F)cc1)c1ccccc1F

Known URLs

27

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=76674-21-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81923 enrich_references.chebi_id_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83707 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.108.517 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.213.710 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8040727 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2136951 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/83P8CT2Z3H enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0252419 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J372.951F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18734 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18734 enrich_references.pubchem_identifier_url
patent patent:EP15756 enrich_references.chebi_xrefs
pesticides pesticides:76674-21-0 enrich_references.chebi_xrefs
pesticides pesticides:flutriafol enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/91727 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/18178235 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20533452 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21740052 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22885544 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22983725 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23208429 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24611465 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25300182 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25376483 enrich_references.chebi_xrefs
reaxys reaxys:7141682 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q1434425 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
47a02703-c6e8-46f7-aa0d-1a11c7528106 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
c6921eaf-2e90-4bfc-b278-682f3512108c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
de57b2bc-71ca-4b53-b8ec-6b8cbc75f1e2 Environmental → Air → Indoor EF 3.1 kg 4
beb82306-fc15-49d2-8a35-289cc0dbc301 Environmental → Air → Long-term EF 3.1 kg 0
d493b7c9-dece-4f3f-831c-07954ce51f76 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fa60f602-5527-45d5-8f51-aaa666ccb9e0 Environmental → Air → Unknown EF 3.1 kg 4
3448403d-3758-4ef4-b86f-f42b319d58aa Environmental → Ground → Agricultural EF 3.1 kg 4
5c8cf69d-167e-4857-a5e6-1427d2d0fd03 Environmental → Ground → Non-agricultural EF 3.1 kg 4
df04e4263d008fa2f33129998c702dac341a1f29 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
2009750a-2f60-426a-84fc-58db4344ae8a Environmental → Ground → Unknown EF 3.1 kg 4
cde7e4a5-95f1-4ca1-b45e-227f520cf849 Environmental → Water → Long-term EF 3.1 kg 0
3bc6cdfd-f9ef-46b5-bd21-433ca6398c59 Environmental → Water → Ocean EF 3.1 kg 4
a5859d16-2aab-4a2b-aae7-540680d99a75 Environmental → Water → Surface water EF 3.1 kg 4
8bcd64a1-c472-4ce7-950b-1239c890d541 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f0c821fa90db2388",
  "prefLabel": [
    {
      "@value": "Flutriafol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(+-)-1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(+-)-flutriafol",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(RS)-2,4'-difluoro-alpha-(1H-1,2,4-triazol-1-ylmethyl)benzhydryl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1h-1,2,4-triazol-1-yl)ethan-1-ol",
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        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "1H-1,2,4-Triazole-1-ethanol, α-(2-fluorophenyl)-α-(4-fluorophenyl)-",
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      "@value": "alpha-(2-fluorophenyl)-alpha-(4-fluorophenyl)-1H-1,2,4-triazole-1-ethanol",
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    },
    {
      "@value": "Impact (fungicide)",
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      }
    },
    {
      "@value": "PP 450-5",
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        ],
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      }
    },
    {
      "@value": "R 152450",
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    },
    {
      "@value": "rac flutriafol",
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      }
    },
    {
      "@value": "rac-(1R)-1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-ol",
      "@language": "en",
      "@lang": "en",
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      }
    },
    {
      "@value": "rac-1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol",
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      }
    },
    {
      "@value": "Rayora",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sinker",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "α-(2-Fluorophenyl)-α-(4-fluorophenyl)-1H-1,2,4-triazole-1-ethanol",
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C16H13F2N3O"
      ],
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
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        },
        {
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          "prov:hadPrimarySource": [
            "OC(Cn1cncn1)(c1ccc(F)cc1)c1ccccc1F"
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        }
      ]
    },
    "https://w3id.org/chemrof/molecular_mass": {
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        {
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    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "JWUCHKBSVLQQCO-UHFFFAOYSA-N"
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      "rdfs:label": "InChIKey",
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      "rdfs:label": "InChI",
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