2,4-二溴苯酚 - CAS号 615-58-7

物化性质

熔点：

36-39 °C
沸点：

154 °C (11 mmHg)
密度：

2.0700
闪点：

154°C/11mm
溶解度：

溶于氯仿；二氯甲烷
物理描述：

Solid
颜色/状态：

Needles from petroleum ether
蒸汽压力：

1.34X10-3 mm Hg at 25 °C (est)
聚合：

Will not occur
气味阈值：

The flavor threshold for 2,4-dibromophenol in drinking water is 4 ug/L /flavor threshold/.
解离常数：

pKa = 7.79
稳定性/保质期：
性质与稳定性：
1. 常温常压下不分解。
2. 存在于主流烟气中。
3. 具有毒性和刺激性。

计算性质

辛醇/水分配系数(LogP)：

3.2
重原子数：

9
可旋转键数：

0
环数：

1.0
sp3杂化的碳原子比例：

0.0
拓扑面积：

20.2
氢给体数：

1
氢受体数：

1

ADMET

代谢

The metabolism and disposition of (14)C-labelled 2,2',4,4'-tetrabromodiphenyl ether (BDE47) were investigated in F344 rats and B6C3F1 mice. Approximately 75-85% of 1 umol BDE47 per kg was absorbed following oral administration to either rats or mice. Sex and species differences were observed in tissue distribution and excretion of BDE47-derived radioactivity. Absorption and distribution of (14)C to major tissues were dose-proportional in male rats from 0.1 to 1,000 umol per kg. BDE47-derived radioactivity increased in all rat and mouse tissues examined following repeated daily doses of 1 umol per kg. Accumulation of (14)C in tissues of mice was less than in corresponding rat tissues. Glutathione conjugates of BDE47 were excreted in rat bile. A glucuronide and a sulfate conjugate of 2,4-dibromophenol were detected in the urine of BDE47-treated rats. BDE47 appears to induce its own metabolism. Increased formation of reactive metabolites over time may correlate with toxicological effects in BDE47-treated rodents. **Translation:** 对F344大鼠和B6C3F1小鼠进行了（14）C标记的2,2',4,4'-四溴联苯醚（BDE47）的代谢和处置研究。大约有75-85%的每公斤1微摩尔BDE47在口服给药到大鼠或小鼠后会被吸收。在大鼠和小鼠的组织分布和排泄BDE47来源的放射性方面观察到了性别和种类的差异。在0.1到1000微摩尔每公斤的剂量范围内，（14）C在雄性大鼠的主要组织中的吸收和分布与剂量成正比。在连续每日给予1微摩尔每公斤的BDE47后，检查的大鼠和小鼠的所有组织中BDE47来源的放射性都有所增加。小鼠组织中（14）C的积累小于相应的大鼠组织。BDE47的谷胱甘肽结合物在大鼠胆汁中排泄。在大鼠尿液中检测到了2,4-二溴酚的葡萄糖醛酸苷和硫酸盐结合物。BDE47似乎能诱导其自身的代谢。随着时间的推移，反应性代谢物的形成增加可能与BDE47处理的老鼠的毒理学效应有关。

The metabolism and disposition of (14)C-labelled 2,2',4,4'-tetrabromodiphenyl ether (BDE47) were investigated in F344 rats and B6C3F1 mice. Approximately 75-85% of 1 umol BDE47 per kg was absorbed following oral administration to either rats or mice. Sex and species differences were observed in tissue distribution and excretion of BDE47-derived radioactivity. Absorption and distribution of (14)C to major tissues were dose-proportional in male rats from 0.1 to 1,000 umol per kg. BDE47-derived radioactivity increased in all rat and mouse tissues examined following repeated daily doses of 1 umol per kg. Accumulation of (14)C in tissues of mice was less than in corresponding rat tissues. Glutathione conjugates of BDE47 were excreted in rat bile. A glucuronide and a sulfate conjugate of 2,4-dibromophenol were detected in the urine of BDE47-treated rats. BDE47 appears to induce its own metabolism. Increased formation of reactive metabolites over time may correlate with toxicological effects in BDE47-treated rodents.