ChemSpider 2D Image | Tralomethrin | C22H19Br4NO3

Tralomethrin

  • Molecular FormulaC22H19Br4NO3
  • Average mass665.007 Da
  • Monoisotopic mass660.809814 Da
  • ChemSpider ID43788

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1R,3S)-2,2-Diméthyl-3-[(1R)-1,2,2,2-tétrabromoéthyl]cyclopropanecarboxylate de (S)-cyano(3-phénoxyphényl)méthyle [French] [ACD/IUPAC Name]
(S)-Cyan(3-phenoxyphenyl)methyl-(1R,3S)-2,2-dimethyl-3-[(1R)-1,2,2,2-tetrabromethyl]cyclopropancarboxylat [German] [ACD/IUPAC Name]
(S)-Cyano(3-phenoxyphenyl)methyl (1R,3S)-2,2-dimethyl-3-(1,2,2,2-tetrabromoethyl)cyclopropanecarboxylate
(S)-Cyano(3-phenoxyphenyl)methyl (1R,3S)-2,2-dimethyl-3-[(1R)-1,2,2,2-tetrabromoethyl]cyclopropanecarboxylate [ACD/IUPAC Name]
266-493-1 [EINECS]
66841-25-6 [RN]
Cyano(3-phenoxyphenyl)methyl 2,2-dimethyl-3-(1,2,2,2-tetrabromoethyl)cyclopropanecarboxylate [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-[(1R)-1,2,2,2-tetrabromoethyl]-, (S)-cyano(3-phenoxyphenyl)methyl ester, (1R,3S)- [ACD/Index Name]
Tralomethrin [BSI] [ISO] [Wiki]
UNII:W2Z59VSQ0O
More...

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

RU 25474 [DBID]
AI3-29694 [DBID]
Caswell No. 861AA [DBID]
EPA Pesticide Chemical Code 121501 [DBID]
HAG 107 [DBID]
HOE 107 [DBID]
HSDB 6740 [DBID]
RU 25472 [DBID]
  • Miscellaneous

    • Chemical Class:

      A carboxylic ester resulting from the formal condensation between (1<stereo>R</stereo>)-<stereo>cis</stereo>-2,2-dimethyl-3-(1,2,2,2-tetrabromoethyl)cyclopropanecarboxylic acid and the alcoholic hydro xy group of (2<stereo>S</stereo>)-hydroxy(3-phenoxyphenyl)acetonitrile. ChEBI CHEBI:39400
      A carboxylic ester resulting from the formal condensation between (1R)-cis-2,2-dimethyl-3-(1,2,2,2-tetrabromoethyl)cyclopropanecarboxylic acid and the alcoholic hydro; xy group of (2S)-hydroxy(3-pheno xyphenyl)acetonitrile. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39400
      A carboxylic ester resulting from the formal condensation between (1R)-cis-2,2-dimethyl-3-(1,2,2,2-tetrabromoethyl)cyclopropanecarboxylic acid and the alcoholic hydroxy group of (2S)-hydroxy(3-phenoxy phenyl)acetonitrile. ChEBI CHEBI:39400
  • Gas Chromatography

    • Retention Index (Normal Alkane):

      2968.1 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.53 mm; Column length: 15 m; Column type: Capillary; Description: 60 0C (2 min) ^ 10 0C/min -> 160 0C ^ 3 0C/min -> 250 0C (20 min); overall run time 62 min; CAS no: 81604639; Active phase: DB-1; Carrier gas: He; Phase thickness: 1.0 um; Data type: Normal alkane RI; Authors: Di Muccio, A.; Pelosi, P.; Attard Barbini, D.; Generali, T.; Ausili, A.; Vergori, F., Selective extraction of pyrethroid pesticide residues from milk by solid-matrix dispersion, J. Chromatogr. A, 765, 1997, 51-60.) NIST Spectra nist ri
      3008 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 50C(1min) =>20C/min =>120C => 5C/min => 300C(10min); CAS no: 81604639; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Shimadzu Corporation, Analysis of 124 pesticides with capillary GC-FTD and GC-ECD, 2003.) NIST Spectra nist ri
      2997.2 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 45 0C (2.66 min) ^ 40 0C/min -> 170 0C ^ 4 0C/min -> 220 0C ^ 20 0C/min -> 280 0C (15.72 min); CAS no: 81604639; Active phase: HP-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Frenzel, T.; Sochor, H.; Speer, K.; Uihlein, M., Rapid multimethod for verification and determination of toxic pesticides in whole blood by means of capillary GC-MS, J. Anal. Toxicol., 24, 2000, 365-371.) NIST Spectra nist ri

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

Density: 1.8±0.1 g/cm3
Boiling Point: 594.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 313.2±30.1 °C
Index of Refraction: 1.641
Molar Refractivity: 129.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.14
ACD/LogD (pH 5.5): 7.60
ACD/BCF (pH 5.5): 351283.03
ACD/KOC (pH 5.5): 324455.13
ACD/LogD (pH 7.4): 7.60
ACD/BCF (pH 7.4): 351283.03
ACD/KOC (pH 7.4): 324455.13
Polar Surface Area: 59 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 359.6±3.0 cm3

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