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Molecule
Deltamethrin
CAS: 52918-63-5 · C22H19Br2NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 52918-63-5
- Molecular Formula
- C22H19Br2NO3
- Molecular Mass
- 505.21 g/mol
Identifiers
CAS Registry Number
52918-63-5
SMILES
CC1(C)[C@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)[C@@H]1C=C(Br)Br
InChI Key
OWZREIFADZCYQD-NSHGMRRFSA-N
InChI
InChI=1S/C22H19Br2NO3/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/t17-,18+,20-/m0/s1
Names and Synonyms
- Deltamethrin Synonym
- Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, (S)-cyano(3-phenoxyphenyl)methyl ester, (1R,3R)- Synonym
- Spritex antiwasp powder Synonym
- Decis Expert Synonym
- Delta Gold (insecticide) Synonym
- Decis Jet Synonym
- K-Othrine Polyzone Synonym
- Lamtox Synonym
- Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, [1R-[1α(S*),3α]]- Synonym
- NRDC 161 Synonym
- Decamethrin Synonym
- RU 22974 Synonym
- FMC 45498 Synonym
- Decis Synonym
- Decamethrine Synonym
- K-Othrin Synonym
- Deltamethrin Synonym
- Cislin Synonym
- K-Othrine Synonym
- Butox Synonym
- RUP 987 Synonym
- Decis 1.5ULV Synonym
- Decis 2.5ULV Synonym
- Decis 0.5ULV Synonym
- Deltagran Synonym
- Crackdown Synonym
- Glossinex 200 Synonym
- K-Obiol Synonym
- Phagase 1 Synonym
- IPO 8831 Synonym
- New Musigie Synonym
- Suspend Synonym
- DeltaGard Synonym
- Zorcis Synonym
- Deltadust Synonym
- Decistab Synonym
- Decistab TB Synonym
- Ezeetab Synonym
- Decis Extra Synonym
- Ultratec Synonym
- Timbertreat DM 5 Synonym
- Battalion Synonym
- Decis Super Synonym
- Delta Gold Synonym
- Alpha Max Synonym
- K-Obiol 2P Synonym
- Deltacid Synonym
- Decis flow 2.5 Synonym
- (S)-Cyano(3-phenoxyphenyl)methyl (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate Synonym
- AquaK'othrine Synonym
- Scalibor Synonym
- Pendelta Synonym
- K-O Tab Synonym
- Vectocid Synonym
- Decis Flow Synonym
- K-Othrine Flow 25 Synonym
- Decis 2.5EC Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 505.21 g/mol | CAS Common Chemistry |
| 505.206 g/mol | RDKit | |
| Density | 0.50 g/cm³ | CAS Common Chemistry |
| 0.5 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Deltamethrin | CAS Common Chemistry |
| Canonical SMILES | N#CC(OC(=O)C1C(C=C(Br)Br)C1(C)C)C=2C=CC=C(OC=3C=CC=CC3)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C22H19Br2NO3/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/t17-,18+,20-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OWZREIFADZCYQD-NSHGMRRFSA-N | CAS Common Chemistry |
| Melting Point | 101-102 °C | CAS Common Chemistry |
| Name | Deltamethrin | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 59.32000000000001 Ų | RDKit |
| 59.32 Ų | RDKit | |
| LogP | 6.490180000000004 | RDKit |
| 6.4902 | RDKit | |
| Molar Refractivity | 114.10200000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2727 | RDKit |
| 0.27 | chempirical lib | |
| Exact Mass | 502.97316766800003 g/mol | RDKit |
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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120
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 505.21 g/mol; density = 0.500 g/mL. Edit any field — others recompute live.
