5426-88-0

• 常用中文名：CAFFEINE, 8-BENZYL-
• 常用英文名：CAFFEINE, 8-BENZYL-
• CAS号：5426-88-0
• 分子式：C₁₅H₁₆N₄O₂
• 分子量：284.31300
• 发布时间：2017-07-11 13:12:47
• 更新时间：2025-09-10 03:59:33

名称

• 英文名: 8-benzyl-1,3,7-trimethylpurine-2,6-dione
• 英文别名: 8-Benzyl-3,7-dihydro-1,3,7-trimethyl-1H-purin-2,6-dion; 8-Benzyl-1,3,7-trimethyl-3,7-dihydro-purin-2,6-dion; 8-benzyl-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione; 8-Benzyl-caffeine; CAFFEINE,8-BENZYL

物化性质

• 密度: 1.3g/cm3
• 沸点: 516.1ºC at 760 mmHg
• 分子式: C₁₅H₁₆N₄O₂
• 分子量: 284.31300
• 闪点: 265.9ºC
• 精确质量: 284.12700
• PSA: 61.82000
• LogP: 0.56150
• 折射率: 1.657

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : EV6490000 CHEMICAL NAME : Caffeine, 8-benzyl- CAS REGISTRY NUMBER : 5426-88-0 BEILSTEIN REFERENCE NO. : 0298246 LAST UPDATED : 199612 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C15-H16-N4-O2 MOLECULAR WEIGHT : 284.35 WISWESSER LINE NOTATION : T56 BN DN FNVNVJ B1 C1R& F1 H1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 200 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 43,152,1954 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 56 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04361

安全

• 海关编码: 2933990090

合成路线

2879-15-4 74-88-4 ~% 5426-88-0

文献：Pretorius, Judey; Malan, Sarel F.; Castagnoli Jr., Neal; Bergh, Jacobus J.; Petzer, Jacobus P. Bioorganic and Medicinal Chemistry, 2008 , vol. 16, # 18 p. 8676 - 8684

58-08-2 886-65-7 ~15% 5426-88-0 79246-59-6 详细

文献：Kaupp, Gerd; Grueter, Heinz-Willi Chemische Berichte, 1981 , vol. 114, # 8 p. 2844 - 2858

2879-15-4 77-78-1 ~% 5426-88-0

文献：Kostolansky et al. Chemicke Zvesti, 1956 , vol. 10, p. 96,106 Chem.Abstr., 1956 , p. 13 947 Full Text Show Details Hager et al. Journal of the American Pharmaceutical Association (1912-1977), 1954 , vol. 43, p. 152,154

103-30-0 58-08-2 ~4% 6439-88-9 5426-88-0 详细

文献：Kaupp, Gerd; Grueter, Heinz-Willi Angewandte Chemie, 1980 , vol. 92, # 9 p. 735 - 737

186581-53-3 ~% 5426-88-0

文献：Cook; Thomas Journal of the Chemical Society, 1950 , p. 1884,1886

5417-22-1 ~% 5426-88-0

文献：Kostolansky et al. Chemicke Zvesti, 1956 , vol. 10, p. 96,106 Chem.Abstr., 1956 , p. 13 947

58-08-2 886-65-7 ~15% 5426-88-0 79246-59-6 详细

文献：Kaupp, Gerd; Grueter, Heinz-Willi Chemische Berichte, 1981 , vol. 114, # 8 p. 2844 - 2858

103-30-0 58-08-2 ~4% 6439-88-9 5426-88-0 详细

文献：Kaupp, Gerd; Grueter, Heinz-Willi Angewandte Chemie, 1980 , vol. 92, # 9 p. 735 - 737

103-30-0 58-08-2 ~% 6439-88-9 5426-88-0 详细

文献：Kaupp, Gerd; Grueter, Heinz-Willi Chemische Berichte, 1981 , vol. 114, # 8 p. 2844 - 2858

上下游产品

上游产品  8
2879-15-4 74-88-4 58-08-2 886-65-7
77-78-1 103-30-0 186581-53-3 5417-22-1
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%