2,6-二甲氧基苯硼酸 | 23112-96-1
中文名称:
2,6-二甲氧基苯硼酸
英文名称:
2,6-Dimethoxyphenylboronic acid
CAS No.:
23112-96-1
分子式:
C8 H1 1 BO4
分子量:
181.9815
名称和标识符
MDL
MFCD01318987
InChIKey
BKWVXPCYDRURMK-UHFFFAOYSA-N
Inchi
1S/C8H11BO4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5,10-11H,1-2H3
SMILES
O(C([H])([H])[H])C1C([H])=C([H])C([H])=C(C=1B(O[H])O[H])OC([H])([H])[H]
BRN
3032352
别名信息
- 中文别名 -
2,6-二甲氧基苯硼酸
2,6-二甲氧基苯硼酸(含有数量不等的酸酐)
2,6-Dimethoxyphenylboronic Acid (contains varying amounts of Anhydride) 2,6-二甲氧基苯硼酸(含有数量不等的酸酐)
2,6-二甲氧基苯基硼酸
2,6-二甲氧基苯基硼酸 (含不同量的酸酐)
- 英文别名 -
2,6-Dimethoxyphenylboronic acid
2,6-Dimethoxybenzeneboronic acid
2,6-Dimethoxyphenylboronic Acid (contains varying amounts of Anhydride)
(2,6-dimethoxyphenyl)boronic acid
26-Dimethylphenylboronic acid
2,5-DIIODOBENZOIC ACID
2,6-dimethoxy-1-benzeneboronic acid
2,6-Dimethoxybenzeneboronic Acid (contains varying amounts of Anhydride)
Benzeneboronicacid, 2,6-dimethoxy- (6CI,7CI,8CI)
Boronic acid, (2,6-dimethoxyphenyl)- (9CI)
2,6-Dimethoxyphenylboronicacid
2,6-DIMETHOXYPHENYL-BORONIC ACID
Boronic acid, (2,6-dimethoxyphenyl)-
PubChem1825
KSC201Q0F
(2,6-dimethoxyphenyl)boranediol
2,6-dimethoxyphenyl boronic acid
2,6-dimethoxy-phenylboronic acid
2,6-dimethoxybenzene boronic acid
BKWVXPCYDRURMK-UHFFFAOYSA-
2,6-Dimethoxyphenylboronic acid(contains varying amounts of Anhydride)
EN300-119838
2,6-Dimethoxybenzeneboronic Acid
AKOS002663425
DTXSID40370234
BP-12137
A4891
FT-0638295
CS-W019869
AM86786
BKWVXPCYDRURMK-UHFFFAOYSA-N
Z1203159460
Boronic acid, B-(2,6-dimethoxyphenyl)-
BCP19585
D3861
23112-96-1
AB08798
(2,6-dimethoxy)phenylboronic acid
NCGC00249518-01
AC-24791
B-(2,6-Dimethoxy-phenyl)boronic acid
MFCD01318987
AF-399/25108058
SY017987
J-507496
GS-6777
SCHEMBL203282
物化性质
实验特性
LogP
-0.61640
PSA
58.92000
折射率
1.517
沸点
372.8°C at 760 mmHg
熔点
110-112 °C (lit.)
闪点
179.3℃
颜色与性状
未确定
溶解性
未确定
密度
1.1900
计算特性
精确分子量
182.07500
氢键供体数量
2
氢键受体数量
4
可旋转化学键数量
3
同位素质量
182.0750390 g/mol
重原子数量
13
复杂度
141
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
表面电荷
0
拓扑分子极性表面积
58.9
分子量
181.98
相关文献
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2.
Towards a monomeric structure of phenylboronic acid: The influence of ortho-alkoxy substituents on the crystal structure
Micha? K. Cyrański,Paulina Klimentowska,Agata Rydzewska,Janusz Serwatowski,Andrzej Sporzyński,Dorota K. St?pień CrystEngComm 2012 14 6282
3.
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4.
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Pyridine-based benzoquinone derivatives as organic cathode materials for sodium ion batteries
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参考资料
Reaxys RN
3032352
Beilstein
MFCD01318987
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