Consensus flow list

Α-cyano-3-phenoxybenzyl [1r-[1α(s*),3α]]-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate

fo-2d4dac5fc88f6cca

Identity

Type
NeutralMolecule
CAS
65731-84-2
EC
265-898-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Α-cyano-3-phenoxybenzyl [1r-[1α(s*),3α]]-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate

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

What it is used for

2

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
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

4

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KAATUXNTWXVJKI-NSHGMRRFSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CC1(C)[C@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)[C@@H]1C=C(Cl)Cl
IUPAC name chemrof:IUPAC_name (S)-Cyano(3-phenoxyphenyl)methyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
Molecular formula chemrof:molecular_formula C22H19Cl2NO3
Molecular mass chemrof:molecular_mass 416.298, 416.304
Monoisotopic mass chemrof:monoisotopic_mass 415.074199, 415.0742
SMILES string chemrof:smiles_string CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1

Known URLs

2

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=65731-84-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39332 enrich_references.chebi_id_link

Elementary flows

13
Flow Context Source Unit CFs
b36f04bb-b0e3-4dbb-a828-5e16c9819e0d Environmental → Air → Aircraft cruise height EF 3.1 kg 4
606c7f2e-ff7d-462f-893a-0b811f813f8a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
fa2aeaa9-aaa6-4775-910d-126da62207ad Environmental → Air → Indoor EF 3.1 kg 4
9acfeabc-0def-4340-82a1-1aa56e05c56b Environmental → Air → Long-term EF 3.1 kg 0
a06beac6-fb52-4328-a3d4-8e8ff18f97d5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
f7b7519d-b6ba-4c33-b19a-553c9a53edb0 Environmental → Air → Unknown EF 3.1 kg 4
b512f6fa-5e4a-403d-b603-65d8f7c262b5 Environmental → Ground → Agricultural EF 3.1 kg 4
d1589946-4e5b-40ab-9474-b9b075825099 Environmental → Ground → Non-agricultural EF 3.1 kg 4
a2ae451e-fa56-4a9a-bddd-18a191760ebf Environmental → Ground → Unknown EF 3.1 kg 4
566f485a-deb7-4fb6-9086-b84812c3aa01 Environmental → Water → Long-term EF 3.1 kg 0
fe4816ef-ba1e-4b36-993a-563f33b7a37d Environmental → Water → Ocean EF 3.1 kg 4
51534cf7-cc81-4f81-becd-5bbd6824d9a3 Environmental → Water → Surface water EF 3.1 kg 4
d70e4d59-efc0-4f6e-b9f2-ad7e1ca9107d Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
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    {
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      "@lang": "en",
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  ],
  "altLabel": [
    {
      "@value": "(S)-Cyano(3-phenoxyphenyl)methyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate",
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    },
    {
      "@value": "beta-Cypermethrin",
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    },
    {
      "@value": "Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (S)-cyano(3-phenoxyphenyl)methyl ester, (1R,3R)-",
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      }
    },
    {
      "@value": "Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, [1R-[1α(S*),3α]]-",
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}

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