4-乙氧基苯硼酸 | 22237-13-4
中文名称:
4-乙氧基苯硼酸
英文名称:
p-Ethoxyphenylboronic Acid
CAS No.:
22237-13-4
分子式:
C8 H1 1 BO3
分子量:
165.9821
名称和标识符
MDL
MFCD00674028
InChIKey
WRQNDLDUNQMTCL-UHFFFAOYSA-N
Inchi
1S/C8H11BO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6,10-11H,2H2,1H3
SMILES
O(C([H])([H])C([H])([H])[H])C1C([H])=C([H])C(B(O[H])O[H])=C([H])C=1[H]
BRN
3530408
别名信息
- 中文别名 -
4-乙氧基苯硼酸
4-乙氧基苯硼酸(含有数量不等的酸酐)
4-Ethoxyphenylboronic Acid (contains varying amounts of Anhydride) 4-乙氧基苯硼酸(含有数量不等的酸酐)
4-乙氧基苯硼酸,4-ETHOXYPHENYLBORONIC ACID
对乙氧基苯硼酸
- 英文别名 -
4-Ethoxyphenylboronic acid
4-Ethoxyphenylboronic Acid (contains varying amounts of Anhydride)
(4-ethoxyphenyl)boronic acid
p-Ethoxyphenylboronic Acid
4-ethoxy phenyl dihydroxy borane
4-Ethoxybenzeneboronic Acid
4-ethoxyphenylboric acid
4-Ethoxybenzeneboronic Acid (contains varying amounts of Anhydride)
(4-Ethoxyphenyl)Boranediol
4-ethoxyphenyl boronic acid
(4-n-ethoxyphenyl)boronic acid
Boronic acid, (4-ethoxyphenyl)-
4-ETHOXYPHENYLBORONICACID
4-Ethoxyphenylboronic
PubChem1836
4-Ethoxybenzeneboronicacid
p-ethoxybenzeneboronic acid
4-ethoxy-phenylboronic acid
4-ethoxybenzene boronic acid
4-ethoxy-phe
A16032
(4-ethoxyphenyl)-boronic acid
p-ethoxyphenylboronic acid
J-509309
MFCD00674028
DTXSID70370242
EN300-736832
(4-ethoxyphenyl)-oxidanyl-oxidanylidene-boron
NCGC00249506-01
WRQNDLDUNQMTCL-UHFFFAOYSA-N
E0725
4-ethoxy-phenyl-boronic acid
SCHEMBL9072
(4-Ethoxyphenyl)boronic acid
4-Ethoxybenzeneboronic acid
22237-13-4
CS-W007778
4-(ethoxy)phenylboronic acid
BCP22384
4-ethoxy-phenyl boronic acid
Z336079910
AC-5366
AM86773
VOW
J-515278
AB06924
FT-0618391
AS-14945
AKOS002679719
4-Ethoxyphenylboronic acid(contains varying amounts of Anhydride)
物化性质
实验特性
LogP
-0.23490
PSA
49.69000
沸点
317.6°C at 760 mmHg
熔点
121-128 °C (lit.)
闪点
145.9±28.4 °C
颜色与性状
未确定2. 密度(g/mL,25/4℃)
密度
1.1300
计算特性
精确分子量
166.08000
氢键供体数量
2
氢键受体数量
3
可旋转化学键数量
3
同位素质量
166.08
重原子数量
12
复杂度
122
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
49.7
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%
相关文献
1.
Palladium-catalyzed regioselective C–H bond arylations at the C3 position of ortho-substituted fluorobenzenes
Anoir Hfaiedh,Hamed Ben Ammar,Jean-Fran?ois Soulé,Henri Doucet Org. Biomol. Chem. 2017 15 7447
2.
Synthesis and evaluation of thiosemicarbazones functionalized with furyl moieties as new chemosensors for anion recognition
Luis E. Santos-Figueroa,María E. Moragues,M. Manuela M. Raposo,Rosa M. F. Batista,Susana P. G. Costa,R. Cristina M. Ferreira,Félix Sancenón,Ramón Martínez-Má?ez,José Vicente Ros-Lis,Juan Soto Org. Biomol. Chem. 2012 10 7418
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Regioselective Suzuki–Miyaura reactions of 4,7-dichloro-N-methylisatin. Synthesis, anti-HIV activity and modeling study
Aws M. Hamdy,Najim A. Al-Masoudi,Christophe Pannecouque,Qamar Rahman,Alexander Villinger,Peter Langer RSC Adv. 2015 5 107360
4.
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Rene Plehnert,J?rg Andreas Schr?ter,Carsten Tschierske J. Mater. Chem. 1998 8 2611
参考资料
Reaxys RN
3530408
Beilstein
16(3)1283
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