3102-00-9

• 常用中文名：非布丙醇
• 常用英文名：Febuprol
• CAS号：3102-00-9
• 分子式：C₁₃H₂₀O₃
• 分子量：224.29600
• 相关类别： 原料药 消化系统用药 利胆药
• 发布时间：2018-07-02 17:34:39
• 更新时间：2024-01-05 18:19:13
• 【用途一】
  利胆药，用于治疗胆囊炎、胆石症及其术后高脂血症、脂性消化不良、肝炎等症。

名称

• 中文名: 非布丙醇
• 英文名: 1-butoxy-3-phenoxypropan-2-ol
• 中文别名: 苯丁氧丙醇; 1-丁氧基-3-(苯氧基)丙-2-醇
• 英文别名: 1-Butoxy-3-phenoxy-2-propanol; 1-Phenoxy-3-butoxy-2-propanol; MFCD00867165; Febuprol; 2-Propanol,1-n-butoxy-3-phenoxy; 3-n-Butoxy-1-phenoxy-2-propanol; 2-Propanol,1-butoxy-3-phenoxy; 1-phenoxy-2-hydroxy-3-butoxypropane; 1-n-Butyl-3-phenyl diether glycerol; 1-butoxy-3-phenoxy-propan-2-ol; Valbil; EINECS 221-454-8

物化性质

• 密度: 1.034 g/cm3
• 沸点: 346ºC at 760 mmHg
• 分子式: C₁₃H₂₀O₃
• 分子量: 224.29600
• 闪点: 163.1ºC
• 精确质量: 224.14100
• PSA: 38.69000
• LogP: 2.24300
• 折射率: 1.502
• 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）:2.4

  2.氢键供体数量:1

  3.氢键受体数量:3

  4.可旋转化学键数量:8

  5.互变异构体数量:无

  6.拓扑分子极性表面积:38.7

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:155

  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:1

  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 : UA8400000 CHEMICAL NAME : 2-Propanol, 1-butoxy-3-phenoxy- CAS REGISTRY NUMBER : 3102-00-9 BEILSTEIN REFERENCE NO. : 1876848 LAST UPDATED : 199612 DATA ITEMS CITED : 6 MOLECULAR FORMULA : C13-H20-O3 MOLECULAR WEIGHT : 224.33 WISWESSER LINE NOTATION : 4O1YQ1OR 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 : 2370 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 24,111,1974 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 400 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 24,111,1974 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 3050 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 24,111,1974 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 436 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 24,111,1974 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - dog DOSE/DURATION : >500 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 24,111,1974 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 150 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 24,111,1974

安全

• 海关编码: 2909499000

合成路线

122-60-1 71-36-3 ~93% 3102-00-9

文献：Salehi, Peyman; Dabiri, Minoo; Zolfigol, Mohammad Ali; Fard, Mohammad Ali Bodaghi Phosphorus, Sulfur and Silicon and the Related Elements, 2004 , vol. 179, # 6 p. 1113 - 1121

122-60-1 5593-70-4 ~% 3102-00-9 68938-62-5

文献：Russian Journal of Organic Chemistry, , vol. 29, # 1.1 p. 63 - 66 Zhurnal Organicheskoi Khimii, , vol. 29, # 1 p. 76 - 80

122-60-1 71-36-3 ~% 3102-00-9 55850-30-1 详细

文献：J. Appl. Chem. USSR (Engl. Transl.), , vol. 53, # 2 p. 404 - 407,339 - 343

上下游产品

上游产品  3
122-60-1 71-36-3 5593-70-4
下游产品  0

海关

海关编码	2909499000
中文概述	2909499000 其他醚醇及其卤化、磺化、硝化或亚硝化衍生物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2909499000. ether-alcohols and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%