ABSTRACT
NO2 CASRN: 99-09-2; DOT: 1661; DOT label: Poison; molecular formula: C6H6N2O2; FW: 138.13; RTECS: BY6825000; Merck Index: 12, 6679 Physical state and color: Yellow, rhombic crystals or powder. Finely dispersered particles form explosive mixtures. Combustible. Melting point (°C): 114 (Weast, 1986) Boiling point (°C): 306.4 (Dean, 1973) Density (g/cm3): 0.9011 at 25 °C (Sax, 1984) Diffusivity in water (x 10-5 cm2/sec): 0.78 at 20 °C using method of Hayduk and Laudie (1974) Dissociation constant, pKa: 2.46 at 25 °C (Dean, 1973) Entropy of fusion (cal/mol⋅K): 14.7 (Andrews et al., 1926) Heat of fusion (kcal/mol): 5.66 (Andrews et al., 1926; Singh et al., 1990a) Henry’s law constant (x 10-5 atm⋅m3/mol): 1.93 at 25 °C (approximate - calculated from water solubility and vapor pressure) Ionization potential (eV): 8.80 (Franklin et al., 1969) Bioconcentration factor, log BCF: 0.92 (Brachydanio rerio, Kalsch et al., 1991)
oc 1.26 using method of Karickhoff et al. (1979) Octanol/water partition coefficient, log Kow: 1.39 at 20 °C (shake flask, Briggs, 1981) 1.37 at 25 °C (shake flask-UV spectrophotometry, Fujita et al., 1964) Solubility in organics: In g/kg at 25 °C: benzene (27.18), chloroform (32.16), and ethanol (77.78) (shake flask-titration, Collett and Johnston, 1926) Solubility in water: In g/kg solution: 0.296 at 0 °C, 0.4665 at 10 °C, 0.726 at 20 °C, 0.914 at 25 °C, 1.379 at 35 °C,
2.11 at 44 °C, 3.235 at 55 °C, 5.33 at 65.4 °C, 8.265 at 75 °C, 12.1 at 83.4 °C (Walton and Finzel, 1928)
0.910 and 1.785 g/kg at 25 and 40.1 °C, respectively (shake flask-titration, Collett and Johnston, 1926)
1.21 g/L at 30 °C (Gross et al., 1933) 742 mg/L at 25 °C (shake flask-UV spectrophotometry, Brisset, 1985) Vapor pressure (mmHg): 9.56 x 10-5 at 25 °C (Banerjee et al., 1990) Environmental fate: Biological. A bacterial culture isolated from the Oconee River in North Georgia degraded 3nitroaniline to the intermediate 4-nitrocatechol (Paris and Wolfe, 1987). A Pseudomonas sp. strain P6, isolated from a Matapeake silt loam, did not grow on 3-nitroaniline as the sole source of carbon. However, in the presence of 4-nitroaniline, all of the applied 3-nitroaniline metabolized completely to carbon dioxide (Zeyer and Kearney, 1983). In the presence of suspended natural populations from unpolluted aquatic systems, the second-order microbial transformation rate constant determined in the laboratory was reported to be 4.6 ± 0.1 x 10-13 L/organism⋅h (Steen, 1991). In activated sludge inoculum, following a 20-d adaptation period, no degradation was observed (Pitter, 1976). Chemical/Physical. Reacts with acids forming water soluble salts. Toxicity: EC50 (15-min) for Photobacterium phosphoreum 85.2 mg/L (Yuan and Lang, 1997). IC50 (24-h) for river bacteria 45.7 mg/L (Yuan and Lang, 1997). Acute LD50 for guinea pigs 450 mg/kg, mice 308 mg/kg, quail 562 mg/kg, rats 535 mg/kg (quoted, RTECS, 1985). Use: Organic synthesis.
