3,4,5-三氟苯硼酸 | 143418-49-9
中文名称:
3,4,5-三氟苯硼酸
英文名称:
3,4,5-Trifluorophenylboronic acid
CAS No.:
143418-49-9
分子式:
C6 H4 BF3 O2
分子量:
175.9010
名称和标识符
MDL
MFCD02093069
InChIKey
UHDDEIOYXFXNNJ-UHFFFAOYSA-N
Inchi
1S/C6H4BF3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,11-12H
SMILES
FC1C(=C(C([H])=C(B(O[H])O[H])C=1[H])F)F
BRN
7371914
别名信息
- 中文别名 -
3,4,5-三氟苯硼酸
3,4,5-三氟苯基硼酸
5-三氟苯硼酸
3,4-三氟苯硼酸
3,4,5-三氟苯硼酸(含有数量不等的酸酐)
- 英文别名 -
(3,4,5-Trifluorophenyl)boronic acid
3,4,5-TRIFLUOROPHENYL BORONIC ACID
BORONIC ACID, B-(3,4,5-TRIFLUOROPHENYL)-
AKOS BRN-0138
3,4,5-TRIFLUOROBENZENEBORONIC ACID
3,4,5-Trifluophenylboronic acid
3,4,5-Trifluorophenylboronic acid (contains varying aMounts of Anhydride)
3,4,5-Trifluorophenylboronic acid
(3,4,5-trifluorophenyl)boranediol
3,4,5-Trifluorphenylboronic acid
Boronic acid, (3,4,5-trifluorophenyl)-
3,4,5-Trifluorophenylboronicacid
PubChem2340
KSC174M0B
Jsp002547
UHDDEIOYXFXNNJ-UHFFFAOYSA-N
3,4,5-Trifluorobenzeneboronic acid
3,4,5-Trifluorophenylboronic acid,98%
物化性质
实验特性
LogP
-0.21630
PSA
40.46000
折射率
1,423-1,425
沸点
263.6 oC at 760 mmHg
熔点
290-295 °C (lit.)
闪点
113.2℃
溶解度
18.43g/l
颜色与性状
White to Yellow Solid
溶解性
不可溶于水
密度
1,087g/cm
计算特性
精确分子量
176.02600
氢键供体数量
2
氢键受体数量
5
可旋转化学键数量
1
同位素质量
176.026
重原子数量
12
复杂度
146
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)
无
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
40.5
海关数据
海关编码
2931900090
海关数据
中国海关编码:
2931900090
概述:
2931900090. 其他有机-无机化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:6.5%. 普通关税:30.0%
Summary:
2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%
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