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 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.

External Resources

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

Recent Searches

Acetone
Ethanol
Navigate
esc Close