Brightway Flows 1.0
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Myclobutanil

fo-d7e3df69806d81ed

Identity

Type
Neutral molecule
CAS
88671-89-0
EC
410-400-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Myclobutanil

What it is used for

4

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
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. 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

32

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HZJKXKUJVSEEFU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3
IUPAC name chemrof:IUPAC_name (+-)-2-p-chlorophenyl-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile
Molecular formula chemrof:molecular_formula C15H17ClN4
Molecular mass chemrof:molecular_mass 288.782
Monoisotopic mass chemrof:monoisotopic_mass 288.114174
SMILES string chemrof:smiles_string CCCCC(C#N)(Cn1cncn1)c1ccc(Cl)cc1

Known URLs

21

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=88671-89-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:75281 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C18477 enrich_references.chebi_xrefs
patent patent:EP145294 enrich_references.chebi_xrefs
pesticides pesticides:myclobutanil enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15823329 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16248555 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16971344 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17484520 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18683908 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21967215 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22288843 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22415649 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22526985 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23939881 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24014248 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24249205 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24666947 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25043148 enrich_references.chebi_xrefs
reaxys reaxys:7138849 enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/Myclobutanil enrich_references.chebi_xrefs

Elementary flows

16
Flow Context Source Unit CFs
64b1ce36-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-a21a-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
b0c3ee7b-13bf-4bf2-8946-95d781743de1 Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-a219-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a21b-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-a218-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-a216-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-a21f-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
cee4d74b0fdecdd421f9a22bf04a8e96291041e0 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-a217-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-a21d-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a220-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
570ea62bbf7bf69829b5e7e650a705bcd377fee0 Environmental → Water → River agribalyse algorithm addition kg 0
fe0acd60-3ddc-11dd-a21c-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
ad9338eafc81ec038e9920662864a69c468eb343 Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
fe0acd60-3ddc-11dd-a21e-0050c2490048 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-d7e3df69806d81ed",
  "prefLabel": [
    {
      "@value": "Myclobutanil",
      "@language": "en",
      "@lang": "en",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(+-)-2-p-chlorophenyl-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(+-)-alpha-butyl-alpha-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(+-)-myclobutanil",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(±)-Myclobutanil",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1H-1,2,4-Triazole-1-propanenitrile, α-butyl-α-(4-chlorophenyl)-",
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    },
    {
      "@value": "Deccotanil",
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      "@value": "Eagle",
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    },
    {
      "@value": "Laredo 25EC",
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    },
    {
      "@value": "Mycloss Xtra",
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    {
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    },
    {
      "@value": "Nova (pesticide)",
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      "@value": "Nova W",
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    {
      "@value": "Nu-Flow M",
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    },
    {
      "@value": "rac-2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile",
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      }
    },
    {
      "@value": "rac-2-p-chlorophenyl-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "rac-alpha-butyl-alpha-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile",
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      }
    },
    {
      "@value": "rac-myclobutanil",
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      }
    },
    {
      "@value": "Rally",
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    },
    {
      "@value": "Rally 40 WP",
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        ],
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      }
    },
    {
      "@value": "Rally 40WSP",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Spectracide Immunox Multi-Purpose Fungicide",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Synthane",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Systhane",
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        "prov:wasDerivedFrom": "original name retained as altLabel"
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    },
    {
      "@value": "Systhane 12E",
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    },
    {
      "@value": "Systhane 20EW",
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    },
    {
      "@value": "Systhane 40W",
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    },
    {
      "@value": "Systhane 6 Flo",
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    },
    {
      "@value": "Systhane Duplo",
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    {
      "@value": "Systhane Forte",
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    },
    {
      "@value": "α-Butyl-α-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile",
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  ],
  "properties": {
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    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
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}

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