1H-苯并三唑-1-甲醇 | 28539-02-8
中文名称:
1H-苯并三唑-1-甲醇
英文名称:
1H-1,2,3-benzotriazol-1-ylmethanol
CAS No.:
28539-02-8
分子式:
C7 H7 N3 O
分子量:
149.1500
名称和标识符
MDL
MFCD00179118
InChIKey
MXJIHEXYGRXHGP-UHFFFAOYSA-N
Inchi
1S/C7H7N3O/c11-5-10-7-4-2-1-3-6(7)8-9-10/h1-4,11H,5H2
SMILES
O([H])C([H])([H])N1C2=C([H])C([H])=C([H])C([H])=C2N=N1
别名信息
- 中文别名 -
1H-苯并三唑-1-甲醇
1-(羟甲基)苯并三唑
1H-Benzotriazole-1-methanol 1H-苯并三唑-1-甲醇
1H-苯并噻唑-1-甲醇
4,4’-(羟基亚甲基)二苯腈
- 英文别名 -
1H-Benzotriazole-1-methanol
(1H-Benzotriazole-1-yl)methanol
1-(Hydroxymethyl)-1H-benzotriazole
benzotriazol-1-ylmethanol
1-(Hydroxymethyl)benzotriazole 1-Benzotriazolemethanol
1-Benzotriazolemethanol
1H-1,2,3-Benzotriazole-1-methanol
1-hydroxymethylbenzotriazole
benzotriazole-N-methanol
F0807-0573
1-(Hydroxymethyl)benzotriazole
NSC 12463
1H-benzotriazol-1-ylmethanol
1H-1,2,3-benzotriazol-1-ylmethanol
NSC12463
(1H-benzo[d][1,2,3]triazol-1-yl)methanol
(1H-1,2,3-benzotriazol-1-yl)methanol
benzotriazolylmethan-1-ol
Benzotriazol-1-yl-methanol
1H-benztriazole-1-methanol
1-hydroxymethyl benzotriazole
BCP31527
1H-benzotriazol-1-yl methanol
B1903
NSC-12463
28539-02-8
1H-1,2,3-benzotriazole-1-ylmethanol
InChI=1/C7H7N3O/c11-5-10-7-4-2-1-3-6(7)8-9-10/h1-4,11H,5H
DTXSID10279361
AKOS000281187
EN300-103682
UNII-PY5HS4K4B4
FT-0638784
C7H7N3O
1-hydroxy methyl benzotriazole
1-(Hydroxymethyl)benzotriazole
1-Benzotriazolemethanol
MFCD00179118
STR05581
1H-Benzotriazole-1-methanol, 98%
J-017118
1,2,3-benzotriazol-1-ylmethanol
SY024115
1-(Hydroxymethyl) benzotriazole
SCHEMBL260406
MXJIHEXYGRXHGP-UHFFFAOYSA-N
1H-benzotriazol-1-yl-methanol
CS-0066204
PY5HS4K4B4
物化性质
实验特性
LogP
0.38110
PSA
50.94000
折射率
1.695
沸点
340.2℃/760mmHg
熔点
148.0 to 151.0 deg-C
闪点
159.5±23.2 °C
颜色与性状
未确定
溶解性
未确定
密度
1.41
计算特性
精确分子量
149.05900
氢键供体数量
1
氢键受体数量
3
可旋转化学键数量
1
同位素质量
149.059
重原子数量
11
复杂度
142
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)
0.6
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
50.9
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.
Preparation of 1, 1-disubstituted hydrazines and their 2-acyl derivatives
Alan R. Katritzky,M. Suresh Chander Rao J. Chem. Soc. Perkin Trans. 1 1989 2297
2.
A centred, elongated ‘ferric tetrahedron’ with an S
= 15/2 spin ground state
James Tabernor,Leigh F. Jones,Sarah L. Heath,Chris Muryn,Guillem Aromí,Joan Ribas,Euan K. Brechin,David Collison = 15/2 spin ground state. James Tabernor Leigh F. Jones Sarah L. Heath Chris Muryn Guillem Aromí Joan Ribas Euan K. Brechin David Collison Dalton Trans. 2004 975
3.
Enantioselective synthesis of 2-substituted 3-aminopropanoic acid (β-alanine) derivatives which are β-analogues of aromatic amino acids
Elena Arvanitis,Holger Ernst,Alice A. LudwigéD’Souza,Andrew J. Robinson,Peter B. Wyatt J. Chem. Soc. Perkin Trans. 1 1998 521
4.
Enantioselective synthesis of 2-substituted 3-aminopropanoic acid (β-alanine) derivatives which are β-analogues of aromatic amino acids
Elena Arvanitis,Holger Ernst,Alice A. LudwigéD’Souza,Andrew J. Robinson,Peter B. Wyatt J. Chem. Soc. Perkin Trans. 1 1998 521
5.
The chemistry of benzotriazole. Part 3. The aminoalkylation of benzotriazole
Alan R. Katritzky,Stanislaw Rachwal,Bogumila Rachwal J. Chem. Soc. Perkin Trans. 1 1987 799
6.
Isomerism of 1- and 2-(NN-disubstituted aminomethyl)benzotriazoles; an investigation by nuclear magnetic resonance spectroscopy
John R. Lindsay Smith,John S. Sadd J. Chem. Soc. Perkin Trans. 1 1975 1181
参考资料
Reaxys RN
135493
Beilstein
26(3/4)104
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