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3-三氟甲基苯硼酸 | 1423-26-3

3-三氟甲基苯硼酸
[3-(trifluoromethyl)phenyl]boronic acid
1423-26-3
C7H6BF3O2
189.9276
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:3-三氟甲基苯硼酸结构式
24867063
名称和标识符
MDL MFCD00151854
InChIKey WOAORAPRPVIATR-UHFFFAOYSA-N
Inchi 1S/C7H6BF3O2/c9-7(10,11)5-2-1-3-6(4-5)8(12)13/h1-4,12-13H
SMILES FC(C1=C([H])C([H])=C([H])C(B(O[H])O[H])=C1[H])(F)F
BRN 6084746
别名信息
- 中文别名 -
  • 3-三氟甲基苯硼酸
  • 3-(三氟甲基)苯硼酸
  • 间三氟甲基苯硼酸
  • 3-(三氟甲基)苯基硼酸(含有数量不等的酸酐)
  • 3-(三氟甲基)苯基硼酸
  • 3-三氟甲基苯硼酸(含不等数量的酐)
  • 间三氟甲基苯基硼酸
  • 3-三氟甲基苯基硼酸
  • α,α,α-三氟-m-甲苯硼酸 (含不同量的酸酐)
  • N-甲基甘氨酸化合物
  • 间三氟甲基苯硼酸 5G
  • 间三氟甲基苯硼酸,97%
  • 3-(三氟甲基)苯硼酸,98%
  • 3-三氟甲基苯硼酸, 97+%
- 英文别名 -
  • 3-Trifluoromethylphenylboronic acid
  • 3-(Trifluoromethyl)phenylboronic acid
  • 3-(Trifluoromethyl)benzeneboronic acid
  • 3-(Trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride)
  • (3-(Trifluoromethyl)phenyl)boronic acid
  • (3-(Trifluoromethyl)phenyl)bo
  • [3-(trifluoromethyl)phenyl]boronic acid
  • α,α,α-Trifluoro-m-tolueneboronic Acid
  • α,α,α-Trifluoro-m-tolylboronic Acid
  • a,a,a-Trifluoro-m-tolueneboronic acid
  • α,α,α-Trifluoro-m-tolueneboronic Acid (contains varying amounts of Anhydride)
  • α,α,α-Trifluoro-m-tolylboronic Acid (contains varying amounts of Anhydride)
  • AKOS BRN-0023
  • RARECHEM AH PB 0096
  • 3-(Trifluoromethyl)p
  • 3-boronobenzotrifluoride
  • 3-TRIFLUOROMETHYLBORONIC ACID
  • m-Trufluoromethylboronic Acid
  • 3-(TRIFLUOROMETHYL)PHENYLBORIC ACID
  • 3-(TRIFLUOROMETHYL)PHENYLBORNIC ACID
  • 3-Trifluoromethylphenyk Boronic Acid
  • M-(TRIFLUOROMETHYL)PHENYLBORONIC ACID
  • 3-trifluoromethylphenyl boronic acid
  • [3-(Trifluoromethyl)Phenyl]Boranediol
  • 3-(trifluoromethyl)benzene boronic acid
  • Boronic acid, [3-(trifluoromethyl)phenyl]-
  • Boronic acid, B-[3-(trifluoromethyl)ph
  • 3-Trifluoromethylphenylboronic acid ,98%
  • alpha,alpha,alpha-Trifluoro-m-tolueneboronic Acid alpha,alpha,alpha-Trifluoro-m-tolylboronic Acid
  • 3-trifluoroMethyl-phenoxy-boronic acid
  • 3-(TRIFLUOROMETHYL)PHENYLBORONIC ACID
  • 3-trifluromethylphenylboronic acid
  • 3-(trifluoromethyl)-phenylboronic acid
  • 3-trifluoromethyl-phenyl-boronic acid
  • 3-trifluoro methyl benzene boronic acid
  • J-511030
  • SCHEMBL4995
  • 3-trifluoromethyl phenyl boronic acid
  • 1423-26-3
  • m-(trifluoromethyl)phenylboronic acid
  • 3-trifluoromethyl-phenyl boronic acid
  • BP-10006
  • EN300-49175
  • Phenylboronic Acid, 3
  • 3-trifluoromethylboronic acid
  • SY014782
  • AKOS000264710
  • 3-trifluromethylbenzene-boronic acid
  • T1793
  • FT-0613923
  • 3- (trifluoromethyl)phenylboronic acid
  • AM61331
  • (3-trifluoromethyl-phenyl)-boronic acid
  • [3-(trifluoromethyl)phenyl]-boronic acid
  • [3-(trifluoromethyl)phenyl]boronic Acid
  • 3-trifluoromethyphenyl boronic acid
  • 3-(Trifluoromethyl)PhenylboronicAcid
  • A15231
  • M-TRUFLUOROMETHYLBORONIC ACID
  • PD181051
  • 3-trifluoromethyl benzeneboronic acid
  • 3-(trifluoromethyl) phenylboronic acid
  • 3-(Trifluoromethyl)phenylbornic acid
  • 3-trifluormethyl-phenyl boronic acid
  • 3-trifluoromethyl-benzene boronic acid
  • AB04008
  • 3-(trifluoromethyl)-benzeneboronic acid
  • 3-(trifluoromethyl-)-phenylboronic acid
  • AC-5361
  • BDBM26124
  • m-(Trifluoromethyl)benzeneboronic acid
  • 3-(trifluoromethyl)phenyl boronic acid
  • MFCD00151854
  • AS-2651
  • HY-32902
  • alpha,alpha,alpha-Trifluoro-m-tolylboronic Acid
  • (3-trifluoromethylphenyl)boronic acid
  • [3-(trifluoromethyl)-phenyl]boronic acid
  • alpha,alpha,alpha-Trifluoro-m-tolueneboronic Acid
  • 3-Trifluoromethyl benzene boronic acid
  • BCP23035
  • DTXSID20370277
  • Boronic acid, B-[3-(trifluoromethyl)phenyl]-
  • m-trifluoromethyl phenyl boronic acid
  • 3-(trifluoromethyl)-phenyl boronic acid
  • 3-trifluoromethylbenzeneboronic acid
  • 3-trifluoromethyl phenylboronic acid
  • CS-W018484
  • Z330828258
  • 3-trifluoromethyl-phenylboronic acid
  • 3-trifluoromethylbenzene boronic acid
  • CHEMBL336239
  • 3-(trifluoromethyl)benzeneboronic acid/anhydride
  • 3(trifluoromethyl)phenylboronic acid
  • 3-(trifluoromethyl)phenyl-boronic acid
  • 3-(Trifluoromethyl)phenylboronic acid pound contains varying amounts of Anhydride pound(c)
  • 3-(Trifluoromethyl)phenylboronic acid,98%
物化性质
实验特性
LogP 0.38520
PSA 40.46000
折射率 1.461
沸点 268.2°C at 760 mmHg
熔点 163-166 °C (lit.)
闪点 119.8℃
溶解度 slightly sol. in Methanol
颜色与性状 粉末。
溶解性 未确定
酸度系数(pKa) 7.55±0.10(Predicted)
密度 1.3600
计算特性
精确分子量 190.04100
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 190.041
重原子数量 13
复杂度 172
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)
互变异构体数量
表面电荷 0
拓扑分子极性表面积 40.5
国际标准相关数据
EINECS 604-284-2
海关数据
海关编码 2934999090
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%

相关文献
专业数据库参考
PubChemId 24867063
参考资料
Reaxys RN 6084746
Beilstein 6084746
化合物详情(旧版)

SMILES

OB(O)C1=CC(=CC=C1)C(F)(F)F

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