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Molecule
Permethrin
CAS: 52645-53-1 · C21H20Cl2O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 52645-53-1
- Molecular Formula
- C21H20Cl2O3
- Molecular Mass
- 391.29 g/mol
Identifiers
CAS Registry Number
52645-53-1
SMILES
CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1
InChI Key
RLLPVAHGXHCWKJ-UHFFFAOYSA-N
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
Names and Synonyms
- Permethrin Synonym
- SBP 1513 Synonym
- 3-Phenoxybenzyl 2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropanecarboxylate Synonym
- m-Phenoxybenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate Synonym
- S 3151 Synonym
- Exmin Synonym
- WL 43479 Synonym
- ICI-PP 557 Synonym
- FMC 41655 Synonym
- Ectiban Synonym
- Ambush Synonym
- PP 557 Synonym
- Kestrel (pesticide) Synonym
- Kestrel Synonym
- Pounce Synonym
- SBP 15131TEC Synonym
- Coopex Synonym
- Perigen W Synonym
- Chinetrin Synonym
- Permasect Synonym
- 3-Phenoxybenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate Synonym
- Perigen Synonym
- MP 79 Synonym
- Ecsumin Synonym
- Antiborer 3768 Synonym
- Ipitox Synonym
- Efmethrin Synonym
- Corsair Synonym
- Diffusil H Synonym
- Stomoxin Synonym
- Anomethrin N Synonym
- Kavil Synonym
- Spartan Synonym
- Stomozan Synonym
- Mitin BC Synonym
- Permanone Synonym
- Damminix Synonym
- JF 7065 Synonym
- Imperator Synonym
- Dragon Synonym
- Cooper Synonym
- Kaleait Synonym
- Kudos Synonym
- Dragnet Synonym
- Dragnet FT Synonym
- Insorbcid MP Synonym
- Riapan A Synonym
- Spartan (pesticide) Synonym
- Adion Synonym
- Permanone 80 Synonym
- Pertrin E Synonym
- Bematin 987 Synonym
- (3-Phenoxyphenyl)methyl 2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropanecarboxylate Synonym
- Lyclear Synonym
- Sharkesuper Synonym
- Permethrine Synonym
- Acticin Synonym
- Elimite Synonym
- Piredam Synonym
- MP 79 (ester) Synonym
- Eulan SPA Synonym
- Pulvex Synonym
- Ridect Pour-On Synonym
- Pynosect Synonym
- Nix Synonym
- BioKill Synonym
- Smite EC 10 Synonym
- Last Call Synonym
- Permectin II Synonym
- Permitrine Synonym
- Aninsen Per-30 Synonym
- Repel Permanone Synonym
- Butox 50 Synonym
- Nix (insecticide) Synonym
- Eliminator Ant, Flea & Tick Killer Synonym
- Permanone 90 Synonym
- Skintex MR-III Synonym
- Dancide PS 150 Synonym
- Dichlorophenothrin Synonym
- Astro Synonym
- Bansect Synonym
- Insectal Plus Synonym
- InfectoPedicul Synonym
- Everwood PC 30W Synonym
- Nedax Synonym
- Permanone 40 Synonym
- Timbertreat ICP 5 Synonym
- Aqua-Kontrol Synonym
- Preventol HS 75 Synonym
- Perm-UP Synonym
- Tanalith T Synonym
- Perigen Defense Synonym
- Perigen 500 Synonym
- Permethrin I Synonym
- Permethrin II Synonym
- Top Spot on Stronger Synonym
- Torpedo Synonym
- Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester Synonym
- NRDC 143 Synonym
- NIA 33297 Synonym
- m-Methoxybenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate Synonym
- FMC 33297 Synonym
- Permethrin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 391.29 g/mol | CAS Common Chemistry |
| 391.2940000000001 g/mol | RDKit | |
| 391.294 g/mol | RDKit | |
| 391.288 g/mol | chempirical lib | |
| Canonical SMILES | O=C(OCC=1C=CC=C(OC=2C=CC=CC2)C1)C3C(C=C(Cl)Cl)C3(C)C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=RLLPVAHGXHCWKJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 34-35 °C | CAS Common Chemistry |
| Name | Permethrin | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 6.113300000000004 | RDKit |
| 6.1133 | RDKit | |
| Molar Refractivity | 103.30400000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2857 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 390.07894985999997 g/mol | RDKit |
| Boiling Point | >290 °C @ 760 Torr | CAS Common Chemistry |
| Density | 1.19-1.27 g/cm3 @ 20 °C | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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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.
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MW = 391.29 g/mol. Edit any field — others recompute live.
