3-羰基-3-(4-三氟甲基苯基)丙酸乙基酯 | 106263-53-0
中文名称:
3-羰基-3-(4-三氟甲基苯基)丙酸乙基酯
英文名称:
Ethyl 3-Oxo-3-4-(trifluoromethyl)phenylpropanoate
CAS No.:
106263-53-0
分子式:
C1 2 H1 1 F3 O3
分子量:
260.2092
名称和标识符
MDL
MFCD03424818
InChIKey
HVHVSJPSNQIPEM-UHFFFAOYSA-N
Inchi
1S/C12H11F3O3/c1-2-18-11(17)7-10(16)8-3-5-9(6-4-8)12(13,14)15/h3-6H,2,7H2,1H3
SMILES
FC(C1C([H])=C([H])C(=C([H])C=1[H])C(C([H])([H])C(=O)OC([H])([H])C([H])([H])[H])=O)(F)F
别名信息
- 中文别名 -
3-羰基-3-(4-三氟甲基苯基)丙酸乙基酯
(4-三氟甲基苯甲酰基)乙酸乙酯
(4-三氟甲基苯甲酰基)乙酯
3-氧代-3-[4-(三氟甲基)苯基]丙酸乙酯
4'-三氟甲基苯甲酰基乙酸乙酯
4-三氟甲基苯甲酰乙酸乙酯
beta-氧代-4-(三氟甲基)苯丙酸乙酯
BETA-氧代-4-(三氟甲基)苯丙酸乙酯
- 英文别名 -
Ethyl 3-oxo-3-(4-(trifluoromethyl)phenyl)propanoate
Ethyl (4-trifluoromethylbenzoyl)acetate
3-Oxo-3-(4-trifluoromethylphenyl)propanoicacid ethyl ester
ETHYL 3-[4-(TRIFLUOROMETHYL)PHENYL]-3-OXOPROPANOATE
Ethyl 3-oxo-3-[4-(trifluoromethyl)phenyl]propanoate
Ethyl 2-4-(Trifluoromethyl)benzoylacetate
Ethyl 3-(4-trifluoromethylphenyl)-3-oxopropionate
Ethyl 3-oxo-3-4-(trifluoromethyl)phenylpropanoate
Ethyl 2-[4-(TrifluoroMethyl)benzoyl]acetate
ETHYL 3-(4-TRIFLUOROMETHYL-PHENYL)-3-OXOPROPANOATE
ethyl β-oxo-4-(trifluoromethyl)-benzenepropanoic acid
3-OXO-3-(4-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID ETHYL ESTER
beta-Oxo-4-(trifluoromethyl)benzenepropanoic acid ethyl ester
Benzenepropanoic acid, β-oxo-4-(trifluoromethyl)-, ethyl ester
3-Oxo-3-(4-trifluoromethylphenyl)propanoic acid ethyl ester
Ethyl 4-(trifluoromethyl)benzoylacetate
ETHYL(4-TRIFLUOROMETHYLBENZOYL)ACETATE
HVHVSJPSN
ETHYL (4-TRIFLUOROMETHYLBENZOYL)ACETATE
Ethyl 3-oxo-3-(4-trifluoromethyl-phenyl)-propionate
Ethyl 3-[4-(trifluoromethyl)phenyl]-3-oxopropanoate
3-OXO-3-(4-TRIFLUOROMETHYLPHENYL)PROPIONICACIDETHYLESTER
ethyl 3-(4-trifluoromethyl-phenyl)-3-oxopropanoate
AKOS005064019
Ethyl (4'-Trifluoromethylbenzoyl)acetate
106263-53-0
SCHEMBL1349394
ethyl 2-[4-(trifluoromethyl)benzoyl]acetate
Benzenepropanoic acid, beta-oxo-4-(trifluoromethyl)-, ethyl ester
DTXSID70375095
AM685
MFCD03424818
Ethyl 3-(4-(trifluoromethyl)phenyl)-3-oxo-propanoate
3-oxo-3-(4-trifluoromethyl-phenyl)-propionic acid ethyl ester
ethyl 3-oxo-3-[4-(trifluoromethyl)phenyl]propanoate
PS-7369
ethyl 3-oxo-3-[4-(trifluoromethyl) phenyl]propanoate
SY003913
3-oxo-3-(4-trifluoromethyl phenyl)propanoic acid ethyl ester
CS-W010149
AC-7085
ethyl 3-oxo-3-(4-trifluoromethylphenyl)propionate
FT-0689859
J-001554
物化性质
实验特性
LogP
2.84130
PSA
43.37000
折射率
n20/D 1.4880(lit.)
沸点
248-249 °C(lit.)
闪点
127.6±22.2 ºC,
溶解度
Very 微溶 (0.18 g/L) (25 ºC),
颜色与性状
液体
溶解性
未确定
密度
1.270 g/mL at 25 °C(lit.)
计算特性
精确分子量
260.06600
氢键供体数量
0
氢键受体数量
6
可旋转化学键数量
5
同位素质量
260.066
重原子数量
18
复杂度
304
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
2.8
互变异构体数量
3
表面电荷
0
拓扑分子极性表面积
43.4
海关数据
海关编码
2918300090
海关数据
中国海关编码:
2918300090
概述:
2918300090 其他含醛基或酮基不含其他含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 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
Summary:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%