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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 Weight:
505.206 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
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 | 505.21 g/mol | Legacy Database |
| density | 0.50 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Deltamethrin None | Legacy Database |
| cas-canonical-smile | N#CC(OC(=O)C1C(C=C(Br)Br)C1(C)C)C=2C=CC=C(OC=3C=CC=CC3)C2 None | Legacy Database |
| cas-density | 0.5 g/cm3 None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=OWZREIFADZCYQD-NSHGMRRFSA-N None | Legacy Database |
| cas-melting-point | 101-102 °C None | Legacy Database |
| cas-name | Deltamethrin None | Legacy Database |
| wikipedia-name | Deltamethrin None | Legacy Database |
| LogP | 6.490180000000004 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 505.206 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 502.97316766800003 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 28 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 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 | 59.32000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 114.10200000000005 | RDKit |
