ABSTRACT
Br CASRN: 106-37-6; DOT: 2711; DOT label: Combustible liquid; molecular formula: C6H4Br2; FW: 235.91; RTECS: CZ1791000; Merck Index: 12, 3066 Physical state, color, and odor: Colorless liquid with a pleasant, aromatic odor Melting point (°C): 87.33 (van der Linde et al., 2005) Boiling point (°C): 218-219 (Weast, 1986) 220.4 (Windholz et al., 1983) 225 (Hawley, 1981) Density (g/cm3): 1.9767 at 25 °C (Hawley, 1981) 1.841 at 87-89 °C (Aldrich, 1990) Diffusivity in water (x 10-6 cm2/sec): 8.30 at 25 °C (x = 2 x 10-7) (Gabler et al., 1996) Flash point (°C): None (Dean, 1987) Entropy of fusion (cal/mol⋅K): 13.3 (Ueberreiter and Orthman, 1950) 13.52 (van der Linde et al., 2005) Heat of fusion (kcal/mol): 4.87 (van der Linde et al., 2005) Henry’s law constant (x 10-4 atm⋅m3/mol): 5.0 at 25 °C (Hine and Mookerjee, 1975) Ionization potential (eV): 8.82 (Lias, 1998) Bioconcentration factor, log BCF: 2.36 (wet weight based), -0.11 (lipid based) (Gambusia affinis, Chaisuksant et al., 1997) Soil organic carbon/water partition coefficient, log Koc: 3.20 using method of Chiou et al. (1979)
ow 3.68, 3.77, 3.78 (generator column-HPLC, Garst, 1984) 3.79 at 25 °C (shake flask-GC, Watarai et al., 1982) 3.89 (HPLC, Gobas et al., 1988) Solubility in organics: In mole fraction at 25 °C: benzene (0.2279), carbon tetrachloride (0.1917), cyclohexane (0.1126), ethylbenzene (0.2393), n-hexadecane (0.1522), n-hexane (0.0834), toluene (0.2452) (Berryman and Heric, 1967) Solubility in water: 20 mg/L solution at 25 °C (shake flask-UV spectrophotometry, Andrews and Keefer, 1950) 0.112 mM at 35 °C (Hine et al., 1963) 20.0 mg/L at 25 °C (shake flask-fluorescence, Mackay and Shiu, 1977) Vapor pressure (mmHg): 0.161 at 25 °C (quoted, Mackay et al., 1982) 0.134 at 35 °C (Hine et al., 1963) Toxicity: EC50 (48-h) for Daphnia magna 1.03 mg/L (Marchini et al., 1999). Acute oral LD50 for mice 120 mg/kg (quoted, RTECS, 1985). Uses: Solvent for oils; ore flotation; motor fuels; organic synthesis.
