2(3H)-Benzoxazolone,6-bromo-5-chloro-
- 中文别名：溴氯唑酮; 6-溴-5-氯-2-苯并恶唑酮
- 中文释义：溴氯唑酮;氯溴唑酮;6-溴-5-氯-2-苯并恶唑酮
- 英文别名：6-bromo-5-chloro-3H-1,3-benzoxazol-2-one;
6-Bromo-5-chlorobenzoxazolone;
Bromclorenona [INN-Spanish];
6-Bromo-5-chloro-2-benzoxazolinone;
Vinyzene;
Bromchlorenonum [INN-Latin];
2(3H)-Benzoxazolone,6-bromo-5-chloro;
Bromchlorenone
- CAS No.：5579-85-1
- 分子式：C7H3BrClNO2
- 分子量：248.46
- 精确分子量：246.90400
- PSA：46.00000
- InChI：The Key: KVAWWXSLBDVXHJ-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.907g/cm3
- 折射率：
- 1.639
- 存储条件/存储方法：
- 库房通风低温干燥
安全信息
- 密度：
- 1.907g/cm3
- 折射率：
- 1.639
- 存储条件/存储方法：
- 库房通风低温干燥
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DM5075000
- CHEMICAL NAME :
- 2-Benzoxazolinone, 6-bromo-5-chloro-
- CAS REGISTRY NUMBER :
- 5579-85-1
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C7-H3-Br-Cl-N-O2
- MOLECULAR WEIGHT :
- 248.47
- WISWESSER LINE NOTATION :
- T56 BMVOJ GE HG
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),341,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 871 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),340,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 222 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),340,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >3160 mg/kg
- TOXIC EFFECTS :
- Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- HAZL** Hazelton Laboratories, Reports. (Falls Church, VA) Volume(issue)/page/year: -,-,1962
海关数据
中国海关编码：2934999090
- 概述：
- 2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
- 申报要素：
- 品名, 成分含量, 用途
- 摘要/Summary：
- 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值（XlogP）:2.5
2.氢键供体数量:1
3.氢键受体数量:2
4.可旋转化学键数量:0
5.互变异构体数量:2
6.拓扑分子极性表面积:38.3
7.重原子数量:12
8.表面电荷:0
9.复杂度:214
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:0
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
