ABSTRACT
CASRN: 528-29-0; DOT: 1597; DOT label: Poison; molecular formula: C6H4N2O4; FW: 168.11; RTECS: CZ7450000 Physical state and color: Colorless to yellow needles Melting point (°C): 118.50 (Martin et al., 1979) Boiling point (°C): 319 at 773 mmHg (Acros Organics, 2002) Density (g/cm3): 1.565 at 17 °C (Weast, 1986) Diffusivity in water (x 10-5 cm2/sec): 0.79 at 20 °C using method of Hayduk and Laudie (1974) Flash point (°C): 150 (NIOSH, 1997) Entropy of fusion (cal/mol⋅K): 14.0 (Andrews et al., 1926) Ionization potential (eV): 10.71 (NIOSH, 1997) Soil organic carbon/water partition coefficient, log Koc: Kd = 1.7 mL/g on a Cs+-kaolinite (Haderlein and Schwarzenbach, 1993). Octanol/water partition coefficient, log Kow: 1.75 at 25 °C, 1.64 at 60 °C (shake flask-UV spectrophotometry, Kramer and Henze, 1990) 1.66 at 25 °C (shake flask-UV spectrophotometry, Nagajawa et al., 1992) Solubility in organics: Soluble in alcohol (≈ 16.7 g/L) and benzene (50 g/L) (Windholz et al., 1983). Solubility in water (mg/L): 124.7 at 25 °C (Leiga and Sarmousakis, 1966) 370 at 100 °C (quoted, Windholz et al., 1983) Environmental fate: Biological. Under anaerobic and aerobic conditions using a sewage inoculum, 1,2-
Photolytic. Low et al. (1991) reported that the nitro-containing compounds (e.g., 2,4dinitrophenol) undergo degradation by UV light in the presence of titanium dioxide yielding ammonium, carbonate, and nitrate ions. By analogy, 1,2-dinitrobenzene should degrade forming identical ions. Chemical/Physical. Releases toxic nitrogen oxides when heated to decomposition (Sax and Lewis, 1987). 1,2-Dinitrobenzene will not hydrolyze in water (Kollig, 1993). Exposure limits (mg/m3): NIOSH REL: TWA 1, IDLH 50; OSHA PEL: TWA 1; ACGIH TLV: TWA 0.15 ppm for all isomers (adopted). Toxicity: EC50 (15-min) for Photobacterium phosphoreum 232 µg/L (Yuan and Lang, 1997). IC50 (24-h) for river bacteria 1.80 mg/L (Yuan and Lang, 1997). Uses: Organic synthesis; dyes.
