ChemSpider 2D Image | Deltamethrin | C22H19Br2NO3


  • Molecular FormulaC22H19Br2NO3
  • Average mass505.199 Da
  • Monoisotopic mass502.973145 Da
  • ChemSpider ID37079
  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Deltamethrin [Wiki]
(1R,3R)-3-(2,2-Dibromoéthènyl)-2,2-diméthylcyclopropanecarboxylate de (S)-cyano(3-phénoxyphényl)méthyle
(1R,3R)-3-(2,2-Dibromovinyl)-2,2-diméthylcyclopropanecarboxylate de (S)-cyano(3-phénoxyphényl)méthyle [French] [ACD/IUPAC Name]
(S)-a-cyano-3-phenoxybenzyl-(1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropane Carboxylate
(S)-Cyan(3-phenoxyphenyl)methyl-(1R,3R)-3-(2,2-dibromvinyl)-2,2-dimethylcyclopropancarboxylat [German] [ACD/IUPAC Name]
(S)-cyano(3-phenoxyphenyl)methyl (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate
(S)-Cyano(3-phenoxyphenyl)methyl (1R,3R)-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate [ACD/IUPAC Name]
[1R-[1a(S*),3a]]-3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropanecarboxylic Acid Cyano(3-phenoxyphenyl)methyl Ester
258-256-6 [EINECS]
52918-63-5 [RN]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AI3-29279 [DBID]
C10985 [DBID]
EPA Pesticide Chemical Code 978051 [DBID]
FMC 45498 [DBID]
HSDB 6604 [DBID]
IPO 8831 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Toxicity:

      Organic Compound; Pesticide; Nitrile; Organobromide; Ether; Pyrethroid; Ester; Insecticide; Bromide Compound; Metabolite; Household Toxin; Synthetic Compound Toxin, Toxin-Target Database T3D1035
    • Chemical Class:

      A carboxylic ester obtained by formal condensation between 3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylic acid and cyano(3-phenoxyphenyl)methanol. ChEBI CHEBI:4388

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 535.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.8±30.1 °C
Index of Refraction: 1.653
Molar Refractivity: 116.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 6.12
ACD/BCF (pH 5.5): 26237.58
ACD/KOC (pH 5.5): 50658.33
ACD/LogD (pH 7.4): 6.12
ACD/BCF (pH 7.4): 26237.58
ACD/KOC (pH 7.4): 50658.33
Polar Surface Area: 59 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 316.7±3.0 cm3

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