4-(1H-1,2,4-三唑-1-基)苄醇 | 143426-50-0
4-(1H-1,2,4-三唑-1-基)苄醇
4-(1H-1,2,4-Triazol-1-yl)phenylmethanol
143426-50-0
C9H9N3O
175.1873
名称和标识符
MDL |
MFCD02682061 |
InChIKey |
KDBNYFBYMKEKAQ-UHFFFAOYSA-N |
Inchi |
1S/C9H9N3O/c13-5-8-1-3-9(4-2-8)12-7-10-6-11-12/h1-4,6-7,13H,5H2 |
SMILES |
O([H])C([H])([H])C1C([H])=C([H])C(=C([H])C=1[H])N1C([H])=NC([H])=N1 |
别名信息
- 中文别名 -
- 4-(1H-1,2,4-三唑-1-基)苄醇
- 3-羟基四氢呋喃
- 4-(1,2,4-噻唑-1-基)苄醇
- 4-(1,2,4-三唑-1-基)苯甲醇
- 英文别名 -
- (4-[1,2,4]Triazol-1-yl-phenyl)methanol
- 1-[4-(Hydroxymethyl)phenyl]-1H-1,2,4-triazole
- [4-(1H-1,2,4-Triazol-1-yl)phenyl]methanol
- 4-(1,2,4-Triazol-1-yl)benzyl Alcohol
- (4-(1H-1,2,4-Triazol-1-yl)phenyl)methanol
- [4-(1,2,4-triazol-1-yl)phenyl]methanol
- Benzenemethanol, 4-(1H-1,2,4-triazol-1-yl)-
- rarechem al bd 1325
- Jsp002548
- SBB089043
- RTR
- FT-0605419
- FT-0605419
- (4-(1H-1 pound not2 pound not4-Triazol-1-yl)phenyl)methanol
- (4-(1H-1 pound not2 pound not4-Triazol-1-yl)phenyl)methanol
- 143426-50-0
- 143426-50-0
- MFCD02682061
- MFCD02682061
- W-205592
- W-205592
- SDCCGMLS-0066012.P001
- SDCCGMLS-0066012.P001
- AKOS005070213
- AKOS005070213
- 1-[4-(Hydroxymethyl)phenyl]-1H-1,2,4-triazole
- 4-(1,2,4-Triazol-1-yl)benzyl Alcohol
- 1-[4-(Hydroxymethyl)phenyl]-1H-1,2,4-triazole
- 4-(1,2,4-Triazol-1-yl)benzyl Alcohol
- (4-(1H-1,2,4-Triazol-1-yl)
- phenyl)
- methanol
- (4-(1H-1,2,4-Triazol-1-yl)
- phenyl)
- methanol
- A884931
- A884931
- 3T-0299
- 3T-0299
- AC-2869
- AC-2869
- SY003203
- SY003203
- [4-(1H-1,2,4-Triazol-1-yl)phenyl]methanol, AldrichCPR
- [4-(1H-1,2,4-Triazol-1-yl)phenyl]methanol, AldrichCPR
- AM20061208
- AM20061208
- SCHEMBL696687
- SCHEMBL696687
- DTXSID10380123
- DTXSID10380123
- CS-0134633
- CS-0134633
物化性质
实验特性
LogP |
0.75960 |
PSA |
50.94000 |
折射率 |
1.642 |
沸点 |
383℃ at 760 mmHg |
熔点 |
124-125 ºC |
蒸气压 |
No data available |
闪点 |
185.4℃ |
颜色与性状 |
No data avaiable |
密度 |
1.3±0.1 g/cm3 |
计算特性
精确分子量 |
175.07500 |
氢键供体数量 |
1 |
氢键受体数量 |
3 |
可旋转化学键数量 |
2 |
同位素质量 |
175.075 |
重原子数量 |
13 |
复杂度 |
157 |
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) |
0.8 |
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%
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