ABSTRACT
CASRN: 88-72-2; DOT: 1664; DOT label: Poison; molecular formula: C7H7NO2; FW: 137.14; RTECS: XT3150000; Merck Index: 12, 6748 Physical state, color, and odor: Clear, colorless to pale yellowish combustible liquid with a faint, aromatic odor. May darken on exposure to air. Melting point (°C): -9.5 (needles), -2.5 °C (crystals) (Weast, 1986) -4.1 (Stull, 1947) Boiling point (°C): 222.15 (Dreisbach and Shrader, 1949) 225 (Gross et al., 1933) Density (g/cm3): 1.1629 at 20 °C (Weast, 1986) 1.15306 at 35.00 °C (Goud et al., 1999) Diffusivity in water (x 10-5 cm2/sec): 0.80 at 20 °C using method of Hayduk and Laudie (1974) Flash point (°C): 107 (NIOSH, 1997) Lower explosive limit (%): 2.2 (NIOSH, 1997) Henry’s law constant (x 10-5 atm⋅m3/mol): 1.25 at 25 °C (thermodynamic method-GC/UV spectrophotometry, Altschuh et al., 1999) Interfacial tension with water (dyn/cm at 20 °C): 27.19 (Harkins et al., 1920) Ionization potential (eV): 9.24 (Lias, 1998) Soil organic carbon/water partition coefficient, log Koc: Kd = 3.4 mL/g on a Cs+-kaolinite (Haderlein and Schwarzenbach, 1993) Octanol/water partition coefficient, log Kow: 2.30 (quoted, Leo et al., 1971)
Soluble in alcohol, ether (Weast, 1986), benzene, and petroleum ether (Windholz et al., 1983) Solubility in water: 652 mg/kg at 30 °C (shake flask-interferometer, Gross et al., 1933) In mg/L: 531 at 10.00 °C, 609 at 20.00 °C, 688 at 30 °C (shake flask-UV spectrophotometry,
Beneš and Dohnal, 1999) Vapor density: 5.61 g/L at 25 °C, 4.73 (air = 1) Vapor pressure (mmHg): 0.1 at 20 °C (NIOSH, 1987) 0.25 at 30 °C (quoted, Verschueren, 1983) Environmental fate: Biological. Robertson et al. (1992) reported that toluene dioxygenases from Pseudomonas putida F1 and Pseudomonas sp. Strain JS 150 oxidized the methyl group forming 2-nitrobenzyl alcohol. Exposure limits: NIOSH REL: TWA 2 ppm (11 mg/m3), IDLH 200 ppm; OSHA PEL: TWA 5 ppm (30 mg/m3); ACGIH TLV: TWA 2 ppm (adopted). Toxicity: LC50 (48-h) for red killifish 245 mg/L (Yoshioka et al., 1986). Acute oral LD50 for mice 970 mg/kg, rats 891 mg/kg (quoted, RTECS, 1985). Uses: Manufacture of dyes, nitrobenzoic acids, toluidines, etc.
