3-三氟甲基苯硼酸频那醇酯 | 325142-82-3
3-三氟甲基苯硼酸频那醇酯
3-(Trifluoromethyl)phenylboronic Acid Pinacol Ester
325142-82-3
C13H16BO2F3
272.07114
名称和标识符
MDL |
MFCD05863925 |
InChIKey |
GJNOCGLTCQPYAC-UHFFFAOYSA-N |
Inchi |
InChI=1S/C13H16BF3O2/c1-11(2)12(3,4)19-14(18-11)10-7-5-6-9(8-10)13(15,16)17/h5-8H,1-4H3 |
SMILES |
CC1(C)C(C)(C)OB(C2=CC=CC(=C2)C(F)(F)F)O1 |
别名信息
- 中文别名 -
- 4,4,5,5-四甲基-2-[3-(三氟甲基)苯基]-1,3,2-二氧杂环戊硼烷
- 3-(三氟甲基)苯硼酸频哪醇酯
- 3-三氟甲基苯硼酸频那醇酯
- 1-(4,4,5,5-四甲基-1,3,2-二氧杂环戊硼烷-2-基)-3-(三氟甲基)苯
- 3-(三氟甲基)苯硼酸频哪醇酯丰瑞化工廖140217
- 3-三氟甲基苯硼酸频呢醇酯
- 4,4,5,5-四甲基-2-(3-(三氟甲基)苯基)-1,3,2-二氧杂硼杂环戊烷
- 英文别名 -
- 4,4,5,5-Tetramethyl-2-(3-(trifluoromethyl)phenyl)-1,3,2-dioxaborolane
- 4,4,5,5-Tetramethyl-2-[3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
- 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[3-(trifluoromethyl)phenyl]-
- 3-Trifluoromethylphenylboronic acid, pinacol ester
- 4,4,5,5-Tetramethyl-2-(3-(trifluoromethyl)-phenyl)-1,3,2-dioxaborolane
- 4,4,5,5-Tetramethyl-2-(3-trifluoromethylphenyl)-1,3,2-dioxaborolane
- 1-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzene
- 3-(Trifluoromethyl)phenylboronic Acid Pinacol Ester
- 4,4,5,5-TETRAMETHYL-2-(3-TRIFLUOROMETHYLPHENYL)-1,3,2-DIOXABOROLANE
- 3-TRIFLUOROMETHYLPHENYLBORONIC ACID, PINACOL ESTER
- 4,4,5,5-Tetramethyl-2-(3-trifluoromethylphenyl)-[1,3,2]dioxaborolane
- 3-trifluoromethylphenylboronic acid, pinacol ester
- EN300-1425748
- 4,4,5,5-tetramethyl-2-(3-trifluoromethylphenyl)-1,3,2-dioxaborolane, AldrichCPR
- AB22744
- AS-2653
- 4,4,5,5-tetramethyl-2-[3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
- 3-(Trifluoromethyl)phenylboronic acid pinacol ester
- 325142-82-3
- 4,4,5,5-tetramethyl-2-(3-trifluoromethyl-phenyl)-1,3,2-dioxaborolane
- SCHEMBL10248
- T3707
- 3-Trifluoromethylphenylboronic acid, pinacol ester, AldrichCPR
- 3-Trifluoromethylphenylboronicacidpinacolester
- A821307
- N12008
- 1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-(3-(trifluoromethyl)phenyl)-
- 4,4,5,5-tetramethyl-2-(3-trifluoromethyl-phenyl)-[1,3,2]dioxaborolane
- DTXSID70375257
- FT-0644420
- 3-Trifluoromethylphenylboronic acid pinacol ester
- CS-W000911
- AKOS015960090
- 4,4,5,5-tetramethyl-2-[3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
物化性质
实验特性
LogP |
3.00460 |
PSA |
18.46000 |
折射率 |
1.456 |
沸点 |
297.3℃ at 760 mmHg |
熔点 |
41.0 to 45.0 deg-C |
闪点 |
133.6°C |
溶解度 |
soluble in Methanol |
密度 |
1.14±0.1 g/cm3(Predicted) |
计算特性
精确分子量 |
272.12000 |
氢键供体数量 |
0 |
氢键受体数量 |
2 |
可旋转化学键数量 |
2 |
同位素质量 |
272.12 |
重原子数量 |
19 |
复杂度 |
325 |
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 |
拓扑分子极性表面积 |
18.5A^2 |
海关数据
海关编码 |
2934999090 |
海关数据 |
中国海关编码:
2934999090
概述:
2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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