均三苄醇 | 4464-18-0
中文名称:
均三苄醇
英文名称:
1,3,5-Benzenetrimethanol
CAS No.:
4464-18-0
分子式:
C9 H1 2 O3
分子量:
168.1898
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:均三苄醇结构式
名称和标识符
MDL
MFCD01108484
InChIKey
SQAMZFDWYRVIMG-UHFFFAOYSA-N
Inchi
1S/C9H12O3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3,10-12H,4-6H2
SMILES
O([H])C([H])([H])C1C([H])=C(C([H])([H])O[H])C([H])=C(C([H])([H])O[H])C=1[H]
别名信息
- 中文别名 -
均三苄醇
1,3,5-三(羟甲基)苯
1,3,5-苯三甲醇
[3,5-双(羟基甲基)苯基]甲醇
2-N-十六酰胺-4-硝基苯磷酸胆碱
- 英文别名 -
1,3,5-BENZENETRIMETHANOL
[3,5-bis(hydroxymethyl)phenyl]methanol
benzene-1,3,5-triyltrimethanol
1,3,5-Tris(hydroxymethyl)benzene
AK164464
BZTA11
1,3,5-tri(hydroxymethyl)benzene
SQAMZFDWYRVIMG-UHFFFAOYSA-N
1,3,5-tris(hydroxylmethyl)benzene
BBL103061
STL556870
3812AE
FCH843078
1,3,5-Benzenetrimethanol, AldrichCPR
J-400093
A826650
benzene-1,3,5-trimethanol
4464-18-0
FT-0683862
DTXSID60372710
BENZENE-1,3,5-TRIYLTRIMETHANOL
SY031239
tert-Butyl3-hydroxy-2,2-dimethylpropylcarbamate
B3586
AKOS004903525
CS-W017806
SCHEMBL63159
1,3,5-Benzenetrimethanol
AS-38846
MFCD01108484
1,3,5-tris[Hydroxymethyl]benzene
?1,3,5-Benzenetrimethanol
YSWG192
AM20040497
Benzenetrimethanol
物化性质
实验特性
LogP
0.16350
PSA
60.69000
折射率
1.613
沸点
389.1 °C at 760 mmHg
熔点
76.0 to 80.0 deg-C
闪点
389.1 °C at 760 mmHg
颜色与性状
不确定
溶解性
不确定
密度
1.285
计算特性
精确分子量
168.07900
氢键供体数量
3
氢键受体数量
3
可旋转化学键数量
3
同位素质量
168.079
重原子数量
12
复杂度
91.2
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)
-0.7
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
60.7
海关数据
海关编码
2906299090
海关数据
中国海关编码:
2906299090
概述:
2906299090 其他芳香醇. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
Summary:
2906299090 other aromatic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%
相关文献
1.
Synthesis of symmetrically trisubstituted benzene derivatives
W. P. Cochrane,P. L. Pauson,T. S. Stevens J. Chem. Soc. C 1968 630
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Nicholas C. Fletcher,Mark Nieuwenhuyzen,Ravi Prabarahan,Alison Wilson Chem. Commun. 2002 1188
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Synthesis and degradation of photolabile dendrimers based on o-nitrobenzyl ether photolabile cores
Robert M. Kevwitch,Dominic V. McGrath New J. Chem. 2007 31 1332
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参考资料
Reaxys RN
2045867
Beilstein
6(4)7413
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