13460-96-3

• 常用中文名：1-(2,3-二羟基丙基)-3,7-二氢-3,7-二甲基-1H-嘌呤-2,6-二酮
• 常用英文名：1H-Purine-2,6-dione,1-(2,3-dihydroxypropyl)-3,7-dihydro-3,7-dimethyl
• CAS号：13460-96-3
• 分子式：C₁₀H₁₄N₄O₄
• 分子量：254.24300
• 发布时间：2016-08-06 15:41:48
• 更新时间：2025-09-28 13:04:45

名称

• 中文名: 1-(2,3-二羟基丙基)-3,7-二氢-3,7-二甲基-1H-嘌呤-2,6-二酮
• 英文名: 1-(2,3-dihydroxypropyl)-3,7-dimethylpurine-2,6-dione
• 英文别名: 1-(2,3-dihydroxy-propyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione; EINECS 236-660-3; Theocardin; Theocardine; 1-Dihydroxypropyltheobromine; 1-(2,3-Dihydroxypropyl)-theobromin; 1-(2,3-Dihydoxypropyl)-theobromin; 1-(2,3-Dihydroxypropyl)theobromine; Isobromin; 1-(2,3-Dihydroxy-propyl)-3,7-dimethyl-3,7-dihydro-purin-2,6-dion; 1-(2,3-Dihydroxypropyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

物化性质

• 密度: 1.57g/cm3
• 沸点: 592.3ºC at 760mmHg
• 分子式: C₁₀H₁₄N₄O₄
• 分子量: 254.24300
• 闪点: 312ºC
• 精确质量: 254.10200
• PSA: 102.28000
• 蒸汽压: 7.11E-15mmHg at 25°C
• 折射率: 1.688
• 储存条件: 2-8℃

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : XH2378700 CHEMICAL NAME : Theobromine, 1-(2,3-dihydroxypropyl)- CAS REGISTRY NUMBER : 13460-96-3 BEILSTEIN REFERENCE NO. : 0284032 LAST UPDATED : 199706 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C10-H14-N4-O4 MOLECULAR WEIGHT : 254.28 WISWESSER LINE NOTATION : T56 BN DN FNVNVJ B1 F1 H1YQ1Q HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 3370 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 6,457,1956 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1920 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : APPHAX Acta Poloniae Pharmaceutica. For English translation, see APPFAR. (Ars Polona, POB 1001, 00-680 Warsaw 1, Poland) V.1- 1937- Volume(issue)/page/year: 18,335,1961

安全

• 海关编码: 2933990090

合成路线

83-67-0 96-24-2 ~% 13460-96-3

文献：Bayer and Co. Patent: DE191106 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 8, p. 1136

83-67-0 556-52-5 ~% 13460-96-3

文献：Roth Archiv der Pharmazie (Weinheim, Germany), 1959 , vol. 292, p. 234,236,237

上下游产品

上游产品  3
83-67-0 96-24-2 556-52-5
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%