The Molecular Structure of Methyl 3,4-dichloro-5-nitro-2-furoate (CAS NO.122587-22-8):
Molecular Formula: C6H3Cl2NO5
Molecular Weight: 239.997720 g/mol
IUPAC: methyl 3,4-dichloro-5-nitrofuran-2-carboxylate
Density: 1.645 g/cm3
Flash Point: 153.8 °C
Enthalpy of Vaporization: 57.33 kJ/mol
Boiling Point: 330.7 °C at 760 mmHg
Vapour Pressure: 0.000163 mmHg at 25°C
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 0.98
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 5.5): 3.29
ACD/BCF (pH 7.4): 3.29
ACD/KOC (pH 5.5): 81.58
ACD/KOC (pH 7.4): 81.58
Polar Surface Area: 85.26Å2
Index of Refraction: 1.552
Molar Refractivity: 46.66 cm3
Molar Volume: 145.8 cm3
Surface Tension: 52.8 dyne/cm
1. | mic-sat 2 µLg/plate | EMMUEG Environmental and Molecular Mutagenesis. 25 (1995),58. |
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and Cl−.
Methyl 3,4-dichloro-5-nitro-2-furoate (CAS NO.122587-22-8) is also called as CCRIS 8289 ; Methyl 3,4-dichloro-5-nitro-2-furancarboxylate ; 2-Furancarboxylic acid,3,4-dichloro-5-nitro-, methyl ester .
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