35873-40-6

• 常用中文名：Xanthine, 8-butyl-1,3-dimethyl-
• 常用英文名：Xanthine, 8-butyl-1,3-dimethyl-
• CAS号：35873-40-6
• 分子式：C₁₁H₁₆N₄O₂
• 分子量：236.27000
• 发布时间：2017-02-21 04:03:22
• 更新时间：2025-08-25 06:06:16

名称

• 英文名: 8-butyl-1,3-dimethyl-7H-purine-2,6-dione
• 英文别名: 8-Butyltheophylline; Theophylline,8-butyl; 8-butyl-1,3-dimethyl-3,7(9)-dihydro-purine-2,6-dione; 8-n-butyl-1,3-dimethylxanthine; 8-Butyl-1,3-dimethyl-1,2,3,6-tetrahydro-2,6-dioxopurine; Xanthine,8-butyl-1,3-dimethyl; 8-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione; 8-butyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione; 8-Butyl-theophyllin; 8-Butyl-1,3-dimethyl-3,7-dihydro-purin-2,6-dion

物化性质

• 密度: 1.251g/cm3
• 沸点: 468.6ºC at 760 mmHg
• 分子式: C₁₁H₁₆N₄O₂
• 分子量: 236.27000
• 闪点: 237.2ºC
• 精确质量: 236.12700
• PSA: 72.68000
• LogP: 0.30290
• 折射率: 1.57

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : XH5000000 CHEMICAL NAME : Theophylline, 8-butyl- CAS REGISTRY NUMBER : 35873-40-6 BEILSTEIN REFERENCE NO. : 0235783 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C11-H16-N4-O2 MOLECULAR WEIGHT : 236.31 WISWESSER LINE NOTATION : T56 BM DN FNVNVJ C4 F1 H1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 250 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: 14,1202,1971

安全

• 海关编码: 2933990090

合成路线

100052-09-3 ~94% 35873-40-6

文献：Takeda Chemical Industries, Ltd. Patent: EP430300 A2, 1991 ; EP 0430300 A2

143148-38-3 ~% 35873-40-6

文献：Donat; Carstens Chemische Berichte, 1959 , vol. 92, p. 1500,1502

上下游产品

上游产品  1
100052-09-3
下游产品  0

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%