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MP 79

CAS: 52645-53-1 | C21H20Cl2O3

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 52645-53-1
Molecular Formula: C21H20Cl2O3
Molecular Weight: 391.2940000000001 g/mol

Names and Synonyms:

MP 79
Permethrin
SBP 1513
3-Phenoxybenzyl 2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropanecarboxylate
m-Phenoxybenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate
S 3151
Exmin
WL 43479
ICI-PP 557
FMC 41655
Ectiban
Ambush
PP 557
Kestrel (pesticide)
Kestrel
Pounce
SBP 15131TEC
Coopex
Perigen W
Chinetrin
Permasect
3-Phenoxybenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate
Perigen
Ecsumin
Antiborer 3768
Ipitox
Efmethrin
Corsair
Diffusil H
Stomoxin
Anomethrin N
Kavil
Spartan
Stomozan
Mitin BC
Permanone
Damminix
JF 7065
Imperator
Dragon
Cooper
Kaleait
Kudos
Dragnet
Dragnet FT
Insorbcid MP
Riapan A
Spartan (pesticide)
Adion
Permanone 80
Pertrin E
Bematin 987
(3-Phenoxyphenyl)methyl 2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropanecarboxylate
Lyclear
Sharkesuper
Permethrine
Acticin
Elimite
Piredam
MP 79 (ester)
Eulan SPA
Pulvex
Ridect Pour-On
Pynosect
Nix
BioKill
Smite EC 10
Last Call
Permectin II
Permitrine
Aninsen Per-30
Repel Permanone
Butox 50
Nix (insecticide)
Eliminator Ant, Flea & Tick Killer
Permanone 90
Skintex MR-III
Dancide PS 150
Dichlorophenothrin
Astro
Bansect
Insectal Plus
InfectoPedicul
Everwood PC 30W
Nedax
Permanone 40
Timbertreat ICP 5
Aqua-Kontrol
Preventol HS 75
Perm-UP
Tanalith T
Perigen Defense
Perigen 500
Permethrin I
Permethrin II
Top Spot on Stronger
Torpedo
Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester
NRDC 143
NIA 33297
m-Methoxybenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate
FMC 33297
Permethrin

Identifiers:

SMILES:
CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1
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

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 391.29 g/mol Legacy Database
cas-boiling-point >290 °C @ Press: 760 Torr None Legacy Database
cas-canonical-smile O=C(OCC=1C=CC=C(OC=2C=CC=CC2)C1)C3C(C=C(Cl)Cl)C3(C)C None Legacy Database
cas-density 1.19-1.27 g/cm3 @ Temp: 20 °C None Legacy Database
cas-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 None Legacy Database
cas-inchi-key InChIKey=RLLPVAHGXHCWKJ-UHFFFAOYSA-N None Legacy Database
cas-melting-point 34-35 °C None Legacy Database
cas-name Permethrin None Legacy Database
LogP 6.113300000000004 RDKit

Molecular

Property Value Source
Molecular Weight 391.2940000000001 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 390.07894985999997 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 26 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 3 count RDKit
Hydrogen Bond Donors 0 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 6 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 2 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 35.53 Ų RDKit

Molar

Property Value Source
Molar Refractivity 103.30400000000002 RDKit

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