Back to Search
Deltamethrin
CAS: 52918-63-5 | C22H19Br2NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
52918-63-5
Molecular Formula:
C22H19Br2NO3
Molecular Mass:
505.21 g/mol
Names and Synonyms:
Deltamethrin
Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, (S)-cyano(3-phenoxyphenyl)methyl ester, (1R,3R)-
Spritex antiwasp powder
Decis Expert
Delta Gold (insecticide)
Decis Jet
K-Othrine Polyzone
Lamtox
Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, [1R-[1α(S*),3α]]-
NRDC 161
Decamethrin
RU 22974
FMC 45498
Decis
Decamethrine
K-Othrin
Deltamethrin
Cislin
K-Othrine
Butox
RUP 987
Decis 1.5ULV
Decis 2.5ULV
Decis 0.5ULV
Deltagran
Crackdown
Glossinex 200
K-Obiol
Phagase 1
IPO 8831
New Musigie
Suspend
DeltaGard
Zorcis
Deltadust
Decistab
Decistab TB
Ezeetab
Decis Extra
Ultratec
Timbertreat DM 5
Battalion
Decis Super
Delta Gold
Alpha Max
K-Obiol 2P
Deltacid
Decis flow 2.5
(S)-Cyano(3-phenoxyphenyl)methyl (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate
AquaK'othrine
Scalibor
Pendelta
K-O Tab
Vectocid
Decis Flow
K-Othrine Flow 25
Decis 2.5EC
Identifiers:
SMILES:
CC1(C)[C@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)[C@@H]1C=C(Br)Br
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
Key Properties
Melting Point
101-102 °C
CAS Common Chemistry
Density
0.50 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 505.21 g/mol | CAS Common Chemistry |
| 505.206 g/mol | RDKit | |
| 502.97316766800003 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 |
| LogP | 6.490180000000004 | RDKit |
| Molar Refractivity | 114.10200000000005 | RDKit |
