1-甲基吲唑 | 13436-48-1
中文名称:
1-甲基吲唑
英文名称:
1-methyl-1H-indazole
CAS No.:
13436-48-1
分子式:
C8 H8 N2
分子量:
132.1625
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:1-甲基吲唑结构式
名称和标识符
MDL
MFCD00661658
InChIKey
CSUGQXMRKOKBFI-UHFFFAOYSA-N
Inchi
1S/C8H8N2/c1-10-8-5-3-2-4-7(8)6-9-10/h2-6H,1H3
SMILES
N1(C([H])([H])[H])C2=C([H])C([H])=C([H])C([H])=C2C([H])=N1
别名信息
- 英文别名 -
1-Methyl-1H-indazole
1H-Indazole,1-methyl-
1-methylindazole
1H-Indazole,1-methyl
1-Methyl-1H-indazol
1-methylisoindazole
N-methylbenzimidazole
NSC195339
1H-Indazole, 1-methyl-
FCH841786
PB18505
AM803165
AX8059614
Z9755
M67457
A806770
1-methyl-1H-indazole
CS-0054743
13436-48-1
SY308233
NSC 195339
FT-0660056
DTXSID40158670
AKOS006274236
AS-50411
SCHEMBL47226
1-Methylindazole
P10138
MFCD00661658
InChI=1/C8H8N2/c1-10-8-5-3-2-4-7(8)6-9-10/h2-6H,1H
NSC-195339
J-006527
物化性质
实验特性
LogP
1.57330
PSA
17.82000
折射率
1.6013 (estimate)
沸点
231.05°C
熔点
60.5°C
闪点
93.5°C
密度
1.0315
计算特性
精确分子量
132.06900
氢键供体数量
0
氢键受体数量
1
可旋转化学键数量
0
同位素质量
132.068748
重原子数量
10
复杂度
124
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)
2.1
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
17.8
海关数据
海关编码
2933990090
海关数据
中国海关编码:
2933990090
概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 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, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
相关文献
1.
Reactivity of 1,1-disubstituted indazol-3-ylio oxides: synthesis of some substituted indazolols and indazolinones
Vicente J. Arán,Juan L. Asensio,José R. Ruiz,Manfred Stud J. Chem. Soc. Perkin Trans. 1 1993 1119
2.
Phenylethynyl-substituted heterocycles inhibit cyclin D1 and induce the expression of cyclin-dependent kinase inhibitor p21Wif1/Cip1 in colorectal cancer cells
Vitaliy M. Sviripa,Liliia M. Kril,Wen Zhang,Yanqi Xie,Przemyslaw Wyrebek,Larissa Ponomareva,Xifu Liu,Yaxia Yuan,Chang-Guo Zhan,David S. Watt,Chunming Liu Med. Chem. Commun. 2018 9 87
3.
Synthesis and characterization of N-heterocyclic carbene-palladium(ii) chlorides-1-methylindazole and -1-methylpyrazole complexes and their catalytic activity toward C–N coupling of aryl chlorides
Xiao-Yun Zhao,Quan Zhou,Jian-Mei Lu RSC Adv. 2016 6 24484
4.
Improved reaction conditions for the synthesis of new NKP-1339 derivatives and preliminary investigations on their anticancer potential
P.-S. Kuhn,V. Pichler,A. Roller,M. Hejl,M. A. Jakupec,W. Kandioller,B. K. Keppler Dalton Trans. 2015 44 659
5.
19F and 1H quantitative-NMR spectroscopic analysis of fluorinated third-generation synthetic cannabinoids
Husain A. Naqi,Timothy J. Woodman,Stephen M. Husbands,Ian S. Blagbrough Anal. Methods 2019 11 3090
6.
Synthesis of 3-aryl-1H-indazoles via iridium-catalysed C–H borylation and Suzuki–Miyaura coupling
Ben A. Egan,Paul M. Burton RSC Adv. 2014 4 27726
7.
Neighboring effect of pyrazole rings: regio- and stereoselective Wagner–Meerwein rearrangement in electrophilic addition reactions of norbornadiene-fused pyrazoles
Tomoshige Kobayashi,Yosuke Uchiyama J. Chem. Soc. Perkin Trans. 1 2000 2731
8.
Visible light-induced gem-difluoroallylation of [1.1.1]propellane to access gem-difluoroallylic bicyclo[1.1.1]pentanes
Hui Zhu,Shengxing Wu,Bingbin Zhu,Jiacheng Li,Deyou Lan,Wenhao Xu,Gongcheng Xu,Yu Zhu,Chuanming Yu,Xinpeng Jiang Chem. Commun. 2023 59 5213
9.
Steric factors in heterocyclic rearrangements. N-Methyl-N-phenylhydrazones of 3-benzoyl-5-phenyl-1,2,4-oxadiazole
Nicolò Vivona,Gabriella Macaluso,Giuseppe Cusmano,Vincenzo Frenna J. Chem. Soc. Perkin Trans. 1 1982 165
10.
26. The structure of the nitroindazoles and their N-methyl derivatives
Ian M. Barclay,Neil Campbell,George Dodds J. Chem. Soc. 1941 113
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