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Basic Information
CAS No.: 57729-86-9
Name: DesMethyl BroMethalin
Article Data: 4
Molecular Structure:
Molecular Structure of 57729-86-9 (DesMethyl BroMethalin)
Formula: C13H5Br3F3N3O4
Molecular Weight: 563.94
Synonyms: Desmethylbromethalin;2,4,6-tribromo-2',4'-dinitro-6'-trifluoromethyldiphenylamine;
Density: 2.158g/cm3
Melting Point: 151-152°C
Boiling Point: 438.1°Cat760mmHg
Flash Point: 218.8°C
Safety: A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx, F−, Br−, and Cl−.
PSA: 103.67000
LogP: 7.67230
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Chemistry

IUPAC  Name: 2,4-Dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)aniline   
Molecular Formula: C13H5Br3F3N3O4
Molecular Weight: 563.94
Freely Rotating Bonds: 4
Polar Surface Area: 94.88 Å2
Index of Refraction: 1.662
Molar Refractivity: 96.76 cm3
Molar Volume: 261.2 cm3
Polarizability: 38.36 ×10-24 cm3
Surface Tension: 57.8 dyne/cm
Density: 2.158 g/cm3
Flash Point: 218.8 °C
Enthalpy of Vaporization: 69.48 kJ/mol
Boiling Point: 438.1 °C at 760 mmHg
Vapour Pressure: 7.08E-08 mmHg at 25°C 
The Cas Register Number of  Desmethylbromethalin is 57729-86-9.The chemical synonyms of  Desmethylbromethalin (CAS NO.57729-86-9) are Benzenamine, 2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)- ; 2,4,6-Tribromo-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]aniline.The molecular structure of  Desmethylbromethalin (CAS NO.57729-86-9) is.

Uses

 Desmethylbromethalin (CAS NO.57729-86-9) is used as organic intermediate .

Toxicity Data With Reference

1.    

orl-gpg LD50:7500 µg/kg

     FAATDF    Fundamental and Applied Toxicology. 11 (1988),664.

Safety Profile

A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx, F−, Br−, and Cl−.