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Acetoprole

HCID 11069398
NotesReactions

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Basic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
209861-58-5
Standard SMILES
CC(=O)c1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(C)=O
InChIKey
GDZNYEZGJAFIKA-UHFFFAOYSA-N
Molecular formula
C13H10Cl2F3N3O2S
Average molar mass
400.2 g/mol
Monoisotopic mass
398.98228758

Overview

Acetoprole is a phenylpyrazole insecticide that is 3-acetyl-1H-pyralole which is substituted at positions 1, 4, and 5 by 2,6-dichloro-4-(trifluoromethyl)phenyl, methylsulfinyl, and amino groups, respectively. A GABA-gated chloride channel antagonist, it was formerly used as an insecticide and acaricide for the control of sucking and chewing insect pests. It has a role as an acaricide, a nematicide and a GABA-gated chloride channel antagonist. It is a sulfoxide, a dichlorobenzene, a phenylpyrazole insecticide, a primary amino compound, an aromatic ketone and a member of (trifluoromethyl)benzenes.

Names & identifiers

Preferred name
Acetoprole
IUPAC
1-[5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfinylpyrazol-3-yl]ethanone

Names & synonyms

Acetoprole209861-58-5Acetoprole [ISO]6PH9942U0UUNII-6PH9942U0UDTXSID0058017CHEBI:133321RPA-1157821-[5-amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-(methylsulfinyl)pyrazol-3-yl]ethanone1-[5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(methylsulfinyl)-1H-pyrazol-3-yl]ethanone1-{5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(methylsulfinyl)-1H-pyrazol-3-yl}ethanoneETHANONE, 1-(5-AMINO-1-(2,6-DICHLORO-4-(TRIFLUOROMETHYL)PHENYL)-4-(METHYLSULFINYL)-1H-PYRAZOL-3-YL)-
Show more names
1-(5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(methylsulfinyl)-1H-pyrazol-3-yl)ethanone1-(5-amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-(methylsulfinyl)pyrazol-3-yl)ethanoneRefChem:109016DTXCID30317851-[5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfinylpyrazol-3-yl]ethanone1-(5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(methylsulfinyl)-1h-pyrazol-3-yl)ethan-1-oneSCHEMBL25897NS00133912

Database identifiers

CAS
209861-58-5

Properties

Computed structural propertiesFilling in

XLogP
3.4
Topological polar surface area
97.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
3
Heavy atoms
24
Formal charge
0
Complexity
513

Chemistry & industry

Suppliers1 total

上海泰坦科技股份有限公司18616708014 · [email protected]

Related reactions

15 records
New reaction record
HRID 174195 reaction equation
HRID 174195As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 181457 reaction equation
HRID 181457As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 521649 reaction equation
HRID 521649As reactantuspto-grants-2016_05
HRID 698218 reaction equation
HRID 698218As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1106688 reaction equation
HRID 1106688As reactantuspto-grants-2000_05
HRID 1532043 reaction equation
HRID 1532043As reactantuspto-grants-2001_03
HRID 1738757 reaction equation
HRID 1738757As reactantuspto-grants-1999_10
HRID 1750048 reaction equation
HRID 1750048As reactantuspto-grants-2015_10
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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
PubChem CID
11069398
DTXSID
DTXSID0058017
ChEBI
CHEBI:133321
UNII
6PH9942U0U