ChemSpider 2D Image | bromethalin | C14H7Br3F3N3O4

bromethalin

  • Molecular FormulaC14H7Br3F3N3O4
  • Average mass577.930 Da
  • Monoisotopic mass574.793884 Da
  • ChemSpider ID40463

More details:

Featured data source
The Merck Index Online

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

2,4,6-Tribrom-N-[2,4-dinitro-6-(trifluormethyl)phenyl]-N-methylanilin [German] [ACD/IUPAC Name]
2,4,6-Tribromo-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methylaniline [ACD/IUPAC Name]
2,4,6-Tribromo-N-[2,4-dinitro-6-(trifluorométhyl)phényl]-N-méthylaniline [French] [ACD/IUPAC Name]
3077059 [Beilstein]
63333-35-7 [RN]
Benzenamine, 2,4,6-tribromo-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-N-methyl- [ACD/Index Name]
bromethalin [BSI] [ISO]
bromethaline [French] [ISO]
N-Methyl-2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)benzenamine
α,α,α-Trifluoro-N-methyl-4,6-dinitro-N-(2,4,6-tribromophenyl)-o-toluidine
More...

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

BRN 3077059 [DBID]
Caswell No. 561BB [DBID]
EL 614 [DBID]
EPA Pesticide Chemical Code 112802 [DBID]
HSDB 6570 [DBID]
Lilly 126714 [DBID]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 533.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 276.2±30.1 °C
Index of Refraction: 1.645
Molar Refractivity: 101.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.30
ACD/LogD (pH 5.5): 6.45
ACD/BCF (pH 5.5): 46554.95
ACD/KOC (pH 5.5): 76368.13
ACD/LogD (pH 7.4): 6.45
ACD/BCF (pH 7.4): 46554.95
ACD/KOC (pH 7.4): 76368.13
Polar Surface Area: 95 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 279.8±3.0 cm3

Click to predict properties on the Chemicalize site


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