2-三氟甲基丙二酸二甲酯
- 中文名称:
- 2-三氟甲基丙二酸二甲酯
- 中文别名:
- 2-三氟甲基丙二酸二甲酯;
Ethyl trans-2,3-dimethylacrylate~Ethyl (E)-2-methyl-2-butenoate~Tiglic acid ethyl ester;
ethyl (2E)-2-methylbut-2-enoate;
ethyl tiglate;
3-amino-2-methoxydibenzofuran;
4-18-00-07352 (Beilstein Handbook Reference);
BRN 0176944;
2-methoxydibenzo[b,d]furan-3-amine;
Tritylamine;
1,1,1-triphenylmethanamine;
triphenylmethanaminium;
NSC 1154;
Triphenylmethylamine;
2-Amino-5-bromobenzoic acid;
L-(+)ASPARAGINE HYDRATE;
L-ASPARAGINE HYDRATE;
- 英文名称:
- Propanedioic acid,2-(trifluoromethyl)-, 1,3-dimethyl ester
- 英文别名:
- dimethyl 2-(trifluoromethyl)propanedioate;
dimethyl trifluoromethylmalonate;
Dimethyl-trifluormethyl-malonat;
dimethyl 2-trifluoromethylmalonate;
Trifluormethyl-malonsaeure-dimethylester;
Trifluoromethylmalonsaeure-dimethylester
- CAS No.:
- 5838-00-6
- 分 子 式:
-
C6H7F3O4
- 分 子 量:
- 0
- 精确分子量:
- 200.03000
- PSA:
- 52.60000
- InChI:
- InChI=1/C6H7F3O4/c1-12-4(10)3(5(11)13-2)6(7,8)9/h3H,1-2H33
- 分子结构式:
-
- SDS:
- 查看
2-三氟甲基丙二酸二甲酯 物化性质
- 密度:
- 1.322g/cm3
- 沸点:
- 172.7ºC at 760mmHg
- 闪点:
- 57.2ºC
- 折射率:
- 1.365
2-三氟甲基丙二酸二甲酯 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- OO1860000
- CHEMICAL NAME :
- Malonic acid, (trifluoromethyl)-, dimethyl ester
- CAS REGISTRY NUMBER :
- 5838-00-6
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C6-H7-F3-O4
- MOLECULAR WEIGHT :
- 200.13
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc.,
Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
20037) V.6- 1963- Volume(issue)/page/year: 13,1212,1970
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc.,
Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
20037) V.6- 1963- Volume(issue)/page/year: 13,1212,1970
2-三氟甲基丙二酸二甲酯 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):1.3
2.氢键供体数量:0
3.氢键受体数量:7
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:52.6
7.重原子数量:13
8.表面电荷:0
9.复杂度:194
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