5404-86-4

• 常用中文名：6-肼基嘌呤
• 常用英文名：6-Hydrazinopurine
• CAS号：5404-86-4
• 分子式：C₅H₆N₆
• 分子量：150.14100
• 发布时间：2018-03-19 08:00:00
• 更新时间：2024-01-09 06:20:04

名称

• 中文名: 6-肼基嘌呤
• 英文名: 6-Hydrazinopurine
• 中文别名: 6-肼嘌啉
• 英文别名: 6-hydrazino-purin; MFCD01694199; 6-HYDRAZINO-9H-PURINE; 1,7-dihydro-6h-purin-6-onehydrazone; purin-6-ylhydrazine; 1,7-dihydro-6h-purin-6-onhydrazone; 6-Hydrazino-1H-purine; 7H-purin-6-ylhydrazine; 6-hydrazinyl-9H-purine

物化性质

• 密度: 1.702 g/cm3
• 沸点: 616.9ºC at 760 mmHg
• 熔点: 150.14ºC
• 分子式: C₅H₆N₆
• 分子量: 150.14100
• 闪点: 326.9ºC
• 精确质量: 150.06500
• PSA: 92.51000
• LogP: 0.41180
• 外观性状: 白色至淡黄色结晶粉末
• 折射率: 1.982
• 储存条件: 室温，干燥
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:3

  3.氢键受体数量:5

  4.可旋转化学键数量:1

  5.互变异构体数量:8

  6.拓扑分子极性表面积:92.5

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:139

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : UO8550000 CHEMICAL NAME : Purine, 6-hydrazino- CAS REGISTRY NUMBER : 5404-86-4 LAST UPDATED : 199206 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C5-H6-N6 MOLECULAR WEIGHT : 150.17 WISWESSER LINE NOTATION : T56 BM DN FN HNJ IMZ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Parenteral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 86 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 71,618,1982 TYPE OF TEST : LD10 - Lethal Dose ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 75 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PMDCAY Progress in Medical Chemistry. (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.1- 1961- Volume(issue)/page/year: 7,69,1970

安全

• 海关编码: 2933990090

合成路线

87-42-3 ~96% 5404-86-4

文献：Unciti-Broceta, Asier; Pineda De Las Infantas, Maria J.; Gallo, Miguel A.; Espinosa, Antonio Chemistry - A European Journal, 2007 , vol. 13, # 6 p. 1754 - 1762

767-69-1 ~95% 5404-86-4

文献：Unciti-Broceta, Asier; Pineda De Las Infantas, Maria J.; Gallo, Miguel A.; Espinosa, Antonio Chemistry - A European Journal, 2007 , vol. 13, # 6 p. 1754 - 1762

157930-09-1 ~68% 5404-86-4

文献：Brown, Desmond J.; Shinozuka, Kazuo Australian Journal of Chemistry, 1982 , vol. 35, # 6 p. 1263 - 1267

77070-97-4 ~47% 5404-86-4 66224-66-6

文献：Journal of Organic Chemistry, , vol. 46, # 11 p. 2203 - 2207

海关

海关编码	2933990090
中文概述	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%