Consensus flow list

Identity

Type
NeutralMolecule
CAS
79538-32-2
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Tefluthrin

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

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
insecticide CHEBI:24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. 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 ZFHGXWPMULPQSE-UKSCLKOJSA-N, ZFHGXWPMULPQSE-WTKPLQERSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-/t8-,10-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string Cc1c(F)c(F)c(COC(=O)[C@@H]2[C@H](/C=C(\Cl)C(F)(F)F)C2(C)C)c(F)c1F
IUPAC name chemrof:IUPAC_name rac-2,3,5,6-tetrafluoro-4-methylbenzyl (1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate
Molecular formula chemrof:molecular_formula C17H14ClF7O2
Molecular mass chemrof:molecular_mass 418.734, 418.736
Monoisotopic mass chemrof:monoisotopic_mass 418.05705, 418.057055
SMILES string chemrof:smiles_string Cc1c(F)c(F)c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)c(F)c1F

Known URLs

25

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
agr agr:IND20629205 enrich_references.chebi_xrefs
agr agr:IND20629206 enrich_references.chebi_xrefs
agr agr:IND43923373 enrich_references.chebi_xrefs
agr agr:IND43962184 enrich_references.chebi_xrefs
agr agr:IND44012198 enrich_references.chebi_xrefs
agr agr:IND89019107 enrich_references.chebi_xrefs
agr agr:IND91052119 enrich_references.chebi_xrefs
agr agr:IND91052121 enrich_references.chebi_xrefs
agr agr:IND91056138 enrich_references.chebi_xrefs
agr agr:IND91056150 enrich_references.chebi_xrefs
agr agr:IND92005017 enrich_references.chebi_xrefs
agr agr:IND92005594 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=79538-32-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:78107 enrich_references.chebi_id_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:9430 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C10992 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11890694 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15980056 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19026681 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19378468 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21966053 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21983428 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22465659 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22577241 enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/Tefluthrin enrich_references.chebi_xrefs

Elementary flows

15
Flow Context Source Unit CFs
3e4dc5a2-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-a23c-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
8a4ab0d2-0450-4c8a-8720-7fa5baf2e277 Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-a23b-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a23d-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-a23a-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9105-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-a241-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
9225a3f8f2cb8b5546b7a56369e0ba7b40eb238d Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-90cb-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-a23f-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a242-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-a23e-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
584154c39539acd9d206a96b053a9ac425a48e38 Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-a240-0050c2490048 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-6122ecac98981c34",
  "prefLabel": [
    {
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  ],
  "altLabel": [
    {
      "@value": "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate",
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    },
    {
      "@value": "Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, [1α,3α(Z)]-",
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    {
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    },
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      "@value": "Force (pesticide)",
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    {
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    {
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    },
    {
      "@value": "Komet RP",
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      }
    },
    {
      "@value": "ProShield",
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    },
    {
      "@value": "R 151993",
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      }
    },
    {
      "@value": "rac-2,3,5,6-tetrafluoro-4-methylbenzyl (1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate",
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    },
    {
      "@value": "Tefluthrin CS",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "tefluthrine",
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  ],
  "properties": {
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        "C17H14ClF7O2"
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