2564-54-7

• 常用中文名：1H-Purine-2,6-dione,3,7,8,9-tetrahydro-1,3,9-trimethyl-8-thioxo-
• 常用英文名：1H-Purine-2,6-dione,3,7,8,9-tetrahydro-1,3,9-trimethyl-8-thioxo-
• CAS号：2564-54-7
• 分子式：C₈H₁₀N₄O₂S
• 分子量：226.25600
• 发布时间：2016-12-16 15:13:35
• 更新时间：2024-02-03 16:31:41

名称

• 英文名: 1,3,9-trimethyl-8-sulfanylidene-7H-purine-2,6-dione
• 英文别名: Isocaffeine,8-mercapto; 1,3,9-trimethyl-8-thio-uric acid; 8-Mercaptoisocaffeine; 1,3,9-Trimethyl-8-thio-harnsaeure; 8-Thiol-iso-caffeine; Uric acid,3,9-trimethyl-8-thio; Iso-caffeine

物化性质

• 密度: 1.57g/cm3
• 沸点: 300.6ºC at 760mmHg
• 分子式: C₈H₁₀N₄O₂S
• 分子量: 226.25600
• 闪点: 135.6ºC
• 精确质量: 226.05200
• PSA: 96.81000
• 蒸汽压: 0.00111mmHg at 25°C
• 折射率: 1.726

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : NQ5850000 CHEMICAL NAME : Isocaffeine, 8-mercapto- CAS REGISTRY NUMBER : 2564-54-7 LAST UPDATED : 197902 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C8-H10-N4-O2-S HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 100 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#04386

合成路线

99768-60-2 ~% 2564-54-7

文献：Blicke; Schaaf Journal of the American Chemical Society, 1956 , vol. 78, p. 5857,5860

5440-00-6 ~% 2564-54-7

文献：Blicke; Schaaf Journal of the American Chemical Society, 1956 , vol. 78, p. 5857,5860

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