4-(1H-[1,2,4]噻唑-3-基)-吡啶

4-(1H-[1,2,4]噻唑-3-基)-吡啶 基本信息
CAS号 14803-99-7 分子式 C7H6N4
分子量 146.14900 精确质量  146.05900
PSA  54.46000 LogP  0.86670

基本信息 展开↓

CAS号:
14803-99-7
3D弹球模型:
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分子式:
C7H6N4
分子量:
146.14900
中文名称:
4-(1H-[1,2,4]噻唑-3-基)-吡啶
英文名称:
4-(1H-1,2,4-triazol-5-yl)pyridine
中文别名:
4-(1H-[1,2,4]噻唑-3-基)-吡啶;
1,2,4-1H-三氮唑,5-(4-吡啶基)-;
4-(1H-1,2,4-三唑-3-基)吡啶;
4-(2H-1,2,4-三唑-3-基)吡啶;
5-(4-吡啶基)-1,2,4-1H-三氮唑;
吡啶,4-(1H-1,2,4-三唑-5-基)-;
吡啶,4-(4H-1,2,4-三唑-3-基)-
英文别名:
4-(1H-1,2,4-triazol-5-yl)pyridine;
3-(4-Pyridyl)-1,2,4-triazol;
1H-1,2,4-Triazole,5-(4-pyridyl);
4-(1H-[1,2,4]Triazol-3-yl)-pyridin;
4-(1H-[1,2,4]triazol-3-yl)-pyridine;
5-(4-Pyridyl)-1H-1,2,4-triazole;
3-(pyridin-4-yl)-1H-1,2,4-triazole;
Pyridine,4-(1H-1,2,4-triazol-5-yl)
精确分子量/精确质量:
146.05900
极性分子表面积/PSA:
54.46000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: OYJDWYWNACFAQB-UHFFFAOYSA-N

物化性质展开↓

密度:
1.296g/cm3
沸点:
389.6ºC at 760 mmHg
闪点:
196.9ºC
折射率:
1.619
蒸汽压:
2.81E-06mmHg at 25°C

安全信息展开↓

海关代码:
2933990090

合成路线查看所有的合成路线

  • 14397-24-1

    (pyridine-4-carbonylamino)thiourea

  • 14803-99-7

    4-(1H-[1,2,4]噻唑-3-基)-吡啶

  • 1477-24-3

    5-(4-吡啶基)-1H-1,2,4-三唑-3-硫醇

  • 14803-99-7

    4-(1H-[1,2,4]噻唑-3-基)-吡啶

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5262000
CHEMICAL NAME :
1H-1,2,4-Triazole, 5-(4-pyridyl)-
CAS REGISTRY NUMBER :
14803-99-7
LAST UPDATED :
199009
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H6-N4
MOLECULAR WEIGHT :
146.17
WISWESSER LINE NOTATION :
T6NJ D- ET5MN DNJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD05 - Lethal Dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
295 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 9,42,1966
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
790 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 8,676,1965

海关数据查看详细

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
摘要/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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  • 1477-24-3

    5-(4-吡啶基)-1H-1,2,4-三唑-3-硫醇

  • 14397-24-1

    (pyridine-4-carbonylamino)thiourea

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