959-10-4

• 常用中文名：联苯丁酸
• 常用英文名：2-(4-phenylphenyl)butanoic acid
• CAS号：959-10-4
• 分子式：C₁₆H₁₆O₂
• 分子量：240.29700
• 发布时间：2018-06-23 19:44:41
• 更新时间：2024-01-10 10:59:08

名称

• 中文名: 联苯丁酸
• 英文名: 2-(4-phenylphenyl)butanoic acid
• 英文别名: Maggioni 1559; 2-(4-Biphenylyl)butyric acid; 2-Biphenyl-4-yl-buttersaeure; 4-Biphenylylethylacetic acid; 2-biphenyl-4-yl-butyric acid; 4-Biphenyl Butanoic Acid; 2-p-biphenylylbutanoic acid; 2-(4'-phenylphenyl)-butanoic acid; 2-(p-Biphenylyl)butyric acid; Ethyl-p-xenylacetic acid; 4-Diphenylylethylacetic acid; Liposana; 2-(4-biphenylyl)butanoic acid; Xenbucina [DCIT]; Liosol; Xenbucin

物化性质

• 密度: 1.112g/cm3
• 沸点: 400.1ºC at 760 mmHg
• 分子式: C₁₆H₁₆O₂
• 分子量: 240.29700
• 闪点: 296.9ºC
• 精确质量: 240.11500
• PSA: 37.30000
• LogP: 3.93180
• 折射率: 1.573
• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.9

  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:4

  5.互变异构体数量:无

  6.拓扑分子极性表面积:37.3

  7.重原子数量:18

  8.表面电荷:0

  9.复杂度:260

  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 : ES7400000 CHEMICAL NAME : Butyric acid, 2-(4-biphenylyl)- CAS REGISTRY NUMBER : 959-10-4 BEILSTEIN REFERENCE NO. : 3294506 LAST UPDATED : 199612 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C16-H16-O2 MOLECULAR WEIGHT : 240.32 WISWESSER LINE NOTATION : QVY2&R DR HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 260 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 24,140,1969 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 348 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 16,23,1961

安全

• 海关编码: 2916399090

合成路线

上下游产品

上游产品  9
61221-46-3 92-52-4 6244-53-7 5449-21-8
26885-97-2 589-15-1 447465-00-1 98-80-6
78733-60-5
下游产品  1
41641-76-3

海关

海关编码	2916399090
中文概述	2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装
Summary	2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%