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Cyhalothrin

CAT: 0926-FC146785Size: 1 gDry Ice: NoHazardous: No
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CAS Number
68085-85-8
MDL Number
MFCD00144031
Smiles
CC1 (C (C1C (=O) OC (C#N) C2=CC (=CC=C2) OC3=CC=CC=C3) /C=C (/C (F) (F) F) \Cl) C
Molecular Formula
C23H19ClF3NO3
Molecular Weight
449.85 g/mol
Controlled
No

Chemical Information

Cyhalothrin

Cyhalothrin is a carboxylic ester obtained by formal condensation between 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid and cyano(3-phenoxyphenyl)methanol. It has a role as an agrochemical, a pyrethroid ester insecticide and a pyrethroid ester acaricide. It is a nitrile, an aromatic ether, an organochlorine compound, an organofluorine compound and a cyclopropanecarboxylate ester. It is functionally related to a 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid.

CAS Number68085-85-8
PubChem CID5281873
IUPAC Name[cyano-(3-phenoxyphenyl)methyl] 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
Molecular FormulaC23H19ClF3NO3
Molecular Weight449.8
XLogP6.1
Topological Polar Surface Area59.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity736
SMILES
CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C(/C(F)(F)F)\Cl)C
InChI
InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-
InChIKey
ZXQYGBMAQZUVMI-UNOMPAQXSA-N
Chemical Structure
2D Structure
2D structure of Cyhalothrin
CAS: 68085-85-8
CID: 5281873
Formula: C23H19ClF3NO3
MW: 449.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.8
XLogP36.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass449.1005556
Monoisotopic Mass449.1005556
Topological Polar Surface Area59.3 Ų
Heavy Atom Count31
Formal Charge0
Complexity736
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
FC101689-01(±) -Cyhalothric acid

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