536-08-3

• 常用中文名：间双没食子酸
• 常用英文名：Benzoic acid,3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]-
• CAS号：536-08-3
• 分子式：C₁₄H₁₀O₉
• 分子量：322.22400
• 发布时间：2018-03-19 08:00:00
• 更新时间：2024-01-09 14:01:15
• Digallic acid is a natural polyphenolic that can be produced by hydrolysis of gallotannins.

名称

• 中文名: 间双没食子酸
• 英文名: digallic acid
• 中文别名: 間貳五倍子酸; 2,3-二羟基-间-二没食子酸
• 英文别名: 3-galloylgallic acid; Digallic acid; Gallic acid,3-gallate; m-Galloylgallic acid; 3-galloyloxy-4,5-dihydroxy-benzoic acid; m-Digallic acid; m-digallate; 3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoic acid; Gallic acid 3-monogallate

物化性质

• 密度: 1.815g/cm3
• 沸点: 727.8ºC at 760 mmHg
• 熔点: 267-269ºC
• 分子式: C₁₄H₁₀O₉
• 分子量: 322.22400
• 闪点: 278ºC
• 精确质量: 322.03200
• PSA: 164.75000
• LogP: 1.13200
• 折射率: 1.776
• 储存条件: -20°C，密闭，干燥
• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.1

  2.氢键供体数量:6

  3.氢键受体数量:9

  4.可旋转化学键数量:4

  5.互变异构体数量:168

  6.拓扑分子极性表面积:165

  7.重原子数量:23

  8.表面电荷:0

  9.复杂度:442

  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 : LW7800000 CHEMICAL NAME : Gallic acid, 3-gallate CAS REGISTRY NUMBER : 536-08-3 BEILSTEIN REFERENCE NO. : 2177723 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C14-H10-O9 MOLECULAR WEIGHT : 322.24 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 2260 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - cyanosis Gastrointestinal - hypermotility, diarrhea REFERENCE : CMAJAX Canadian Medical Association Journal. (Canadian Medical Assoc., POB 8650, Ottawa, ON K1G 0G8, Canada) V.1- 1911- Volume(issue)/page/year: 92,1292,1965

安全

• 海关编码: 2918990090

合成路线

14937-32-7 ~% 149-91-7 536-08-3 47307-06-2 详细

文献：Phytochemistry, , vol. 72, # 8 p. 796 - 803

541-41-3 ~% 536-08-3

文献：Journal of the American Chemical Society, , vol. 43, p. 630

149-91-7 ~% 536-08-3

文献：Chemische Berichte, , vol. 41, p. 2872 Chem. Zentralbl., , vol. 79, # II p. 314

222320-76-5 ~% 536-08-3

文献：Chemische Berichte, , vol. 41, p. 2872 Chem. Zentralbl., , vol. 79, # II p. 314

141992-37-2 ~% 536-08-3

文献：Chemische Berichte, , vol. 46, p. 1125

29970-29-4 ~% 536-08-3

文献：Chemische Berichte, , vol. 51, p. 61

861570-63-0 141992-37-2 ~% 536-08-3

文献：Chemische Berichte, , vol. 41, p. 2872 Chem. Zentralbl., , vol. 79, # II p. 314

149-91-7 7732-18-5 ~% 536-08-3

文献：Biochemical Journal, , vol. 26, p. 1093

56-23-5 60-29-7 861570-63-0 141992-37-2 ~% 详细

文献：Justus Liebigs Annalen der Chemie, , vol. 389, p. 199 Chemische Berichte, , vol. 51, p. 45

上下游产品

上游产品  9
14937-32-7 541-41-3 149-91-7 222320-76-5
29970-29-4 861570-63-0 7732-18-5 56-23-5
60-29-7
下游产品  3
149-91-7 476-66-4 47307-06-2

海关

海关编码	2918990090
中文概述	2918990090. 其他含其他附加含氧基羧酸（包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物）. 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:30.0%
申报要素	品名, 成分含量, 用途
Summary	2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%