5579-85-1

• 常用中文名：6-溴-5-氯苯并[d]恶唑-2(3H)-酮
• 常用英文名：6-bromo-5-chlorobenzo[d]oxazol-2(3H)-one
• CAS号：5579-85-1
• 分子式：C₇H₃BrClNO₂
• 分子量：248.46100
• 发布时间：2018-06-15 12:40:53
• 更新时间：2025-08-25 03:57:41

名称

• 中文名: 溴氯唑酮
• 英文名: 6-bromo-5-chloro-3H-1,3-benzoxazol-2-one
• 中文别名: 氯溴唑酮; 6-溴-5-氯-2-苯并恶唑酮
• 英文别名: 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

物化性质

• 密度: 1.907g/cm3
• 分子式: C₇H₃BrClNO₂
• 分子量: 248.46100
• 精确质量: 246.90400
• PSA: 46.00000
• LogP: 2.53700
• 折射率: 1.639
• 储存条件: 库房通风低温干燥
• 计算化学:

  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

毒性和生态

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

安全

• 海关编码: 2934999090

海关

海关编码	2934999090
中文概述	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
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%