ChemSpider 2D Image | (S)-Cyano(3-phenoxyphenyl)methyl (1R,3S)-3-(2,2-dibromovinyl)-2,2-bis[(~2~H_3_)methyl]cyclopropanecarboxylate | C22H13D6Br2NO3

(S)-Cyano(3-phenoxyphenyl)methyl (1R,3S)-3-(2,2-dibromovinyl)-2,2-bis[(2H3)methyl]cyclopropanecarboxylate

  • Molecular FormulaC22H13D6Br2NO3
  • Average mass511.236 Da
  • Monoisotopic mass509.010803 Da
  • ChemSpider ID57621624

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,3S)-3-(2,2-Dibromovinyl)-2,2-bis[(2H3)méthyl]cyclopropanecarboxylate de (S)-cyano(3-phénoxyphényl)méthyle [French] [ACD/IUPAC Name]
(S)-Cyan(3-phenoxyphenyl)methyl-(1R,3S)-3-(2,2-dibromvinyl)-2,2-bis[(2H3)methyl]cyclopropancarboxylat [German] [ACD/IUPAC Name]
(S)-Cyano(3-phenoxyphenyl)methyl (1R,3S)-3-(2,2-dibromovinyl)-2,2-bis[(2H3)methyl]cyclopropanecarboxylate [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-di(methyl-d3)-, (S)-cyano(3-phenoxyphenyl)methyl ester, (1R,3S)- [ACD/Index Name]
[(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-(2,2-dibromoethenyl)-2,2-bis(trideuteriomethyl)cyclopropane-1-carboxylate
trans-δmethrin D6 (dimethyl D6)
trans-δmethrin D6 (dimethyl D6) 100 ?g/mL in Acetonitrile

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

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

Click to predict properties on the Chemicalize site


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