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Permethrin 10mM * 1mL in DMSO

CAT: 0628-A18136-10mM-DSize: 10 mM x 1mL in DMSODry Ice: NoHazardous: No
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CAT#:0628-A18136-10mM-DSize:10 mM x 1mL in DMSO
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CAS Number
52645-53-1

Chemical Information

Permethrin

Permethrin is a cyclopropanecarboxylate ester in which the esterifying alcohol is 3-phenoxybenzyl alcohol and the cyclopropane ring is substituted with a 2,2-dichlorovinyl group and with gem-dimethyl groups. It has a role as an agrochemical, an ectoparasiticide, a pyrethroid ester insecticide, a pyrethroid ester acaricide and a scabicide. It is a cyclopropanecarboxylate ester and a member of cyclopropanes. It is functionally related to a 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid.

CAS Number52645-53-1
PubChem CID40326
IUPAC Name(3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Molecular FormulaC21H20Cl2O3
Molecular Weight391.3
XLogP6.5
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity521
SMILES
CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C
InChI
InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3
InChIKey
RLLPVAHGXHCWKJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Permethrin
CAS: 52645-53-1
CID: 40326
Formula: C21H20Cl2O3
MW: 391.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.3
XLogP36.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass390.0789499
Monoisotopic Mass390.0789499
Topological Polar Surface Area35.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity521
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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