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Cypermethrin (Phenoxy-d5) Isomeric Mixture

CAT: 0572-TRC-C989002-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C989002-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2140327-50-8
Synonyms
3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic Acid-d5 Cyano(3-phenoxyphenyl)methyl Ester; NRDC-149-d5; FMC-30980-d5; PP-383-d5; Ammo-d5; Arrivo-d5; Barricade-d5; Basathrin-d5; Cymbush-d5; Demon-d5; Flectron-d5; Ripcord-d5;
Hazard Statement
Toxic if swallowed; UN number: UN2810; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]c1c([2H])c([2H])c(Oc2cccc(c2)C(OC(=O)C3C(C=C(Cl)Cl)C3(C)C)C#N)c([2H])c1[2H]
Molecular Formula
C22 D5 H14 Cl2 N O3
Molecular Weight
421.328
InChI
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/i3D,4D,5D,8D,9D
Additionnal Information
IUPAC name: [cyano-[3-(2,3,4,5,6-pentadeuteriophenoxy)phenyl]methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Cypermethrin (Phenoxy-d5) Isomeric Mixture
CAS Number2140327-50-8
PubChem CID124202510
IUPAC Name[cyano-[3-(2,3,4,5,6-pentadeuteriophenoxy)phenyl]methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Molecular FormulaC22H19Cl2NO3
Molecular Weight421.3
XLogP6
Topological Polar Surface Area59.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity643
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])OC2=CC=CC(=C2)C(C#N)OC(=O)C3C(C3(C)C)C=C(Cl)Cl)[2H])[2H]
InChI
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/i3D,4D,5D,8D,9D
InChIKey
KAATUXNTWXVJKI-YQYLVRRTSA-N
Chemical Structure
2D Structure
2D structure of Cypermethrin (Phenoxy-d5) Isomeric Mixture
CAS: 2140327-50-8
CID: 124202510
Formula: C22H19Cl2NO3
MW: 421.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.3
XLogP36
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass420.1055826
Monoisotopic Mass420.1055826
Topological Polar Surface Area59.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity643
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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