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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.
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 |
