ChemSpider 2D Image | Brodifacoum | C31H23BrO3

Brodifacoum

  • Molecular FormulaC31H23BrO3
  • Average mass523.417 Da
  • Monoisotopic mass522.083069 Da
  • ChemSpider ID38082

More details:

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

Brodifacoum [BSI] [ISO] [Wiki] [REDIRECT]
259-980-5 [EINECS]
3-[3-(4'-Brom-4-biphenylyl)-1,2,3,4-tetrahydro-1-naphthalinyl]-2-hydroxy-4H-chromen-4-on [German] [ACD/IUPAC Name]
3-[3-(4'-Bromo-4-biphénylyl)-1,2,3,4-tétrahydro-1-naphtalényl]-2-hydroxy-4H-chromén-4-one [French] [ACD/IUPAC Name]
3-[3-(4'-Bromo-4-biphenylyl)-1,2,3,4-tetrahydro-1-naphthalenyl]-2-hydroxy-4H-chromen-4-one [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[3-(4'-bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl]-2-hydroxy- [ACD/Index Name]
56073-10-0 [RN]
Talon
2H-1-Benzopyran-2-one, 3-(3-(4'-bromo(1,1'-biphenyl)-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-
3-(3-(4'-Bromo(1,1'-biphenyl)-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-2H-1-benzopyran-2-one
More...

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

Caswell No. 114AAA [DBID]
EPA Pesticide Chemical Code 112701 [DBID]
HSDB 3916 [DBID]
PP 581 [DBID]
WBA 8119 [DBID]
  • Miscellaneous

    • Toxicity:

      Organic Compound; Aromatic Hydrocarbon; Pesticide; Organobromide; Ester; Bromide Compound; Household Toxin; Synthetic Compound Toxin, Toxin-Target Database T3D3101

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

Density: 1.4±0.1 g/cm3
Boiling Point: 644.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 343.5±31.5 °C
Index of Refraction: 1.686
Molar Refractivity: 139.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 8.89
ACD/LogD (pH 5.5): 6.68
ACD/BCF (pH 5.5): 39663.72
ACD/KOC (pH 5.5): 34476.89
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 684.21
ACD/KOC (pH 7.4): 594.74
Polar Surface Area: 47 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 365.6±3.0 cm3

Click to predict properties on the Chemicalize site


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