- 中文别名：联苯丁酸
- 中文释义：联苯丁酸
- 英文别名：2-(4-phenylphenyl)butanoic acid;
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 - cas No.：959-10-4
- 分子式：
C16H16O2
- 分子量：0
- 精确分子量：240.11500
- PSA：37.30000
- 分子结构式：
物化性质
- 密度：
- 1.112g/cm3
- 沸点：
- 400.1ºC at 760 mmHg
- 闪点：
- 296.9ºC
- 折射率：
- 1.573
安全信息
- 密度：
- 1.112g/cm3
- 沸点：
- 400.1ºC at 760 mmHg
- 闪点：
- 296.9ºC
- 折射率：
- 1.573
毒理性
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
海关数据
中国海关编码：2916399090
- 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
- 摘要/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%
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）: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