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Merck
CN

398225

Sigma-Aldrich

没食子酸 一水合物

ACS reagent, ≥98.0%

别名:

3,4,5-三羟基苯甲酸

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About This Item

线性分子式:
(HO)3C6H2CO2H · H2O
CAS号:
分子量:
188.13
Beilstein:
2050274
EC 号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.21

等级

ACS reagent

质量水平

检测方案

≥98.0%

形式

powder

杂质

≤0.01% insolubles

灼烧残渣

≤0.005%

mp

252 °C (dec.) (lit.)

痕量阴离子

sulfate (SO42-): ≤0.02%

SMILES字符串

OC(=O)c1cc(O)c(O)c(O)c1

InChI

1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)/p-1

InChI key

LNTHITQWFMADLM-UHFFFAOYSA-M

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一般描述

没食子酸一水合物是一种酚酸。对其晶体结构的研究表明,它是带有两个分子内氢键和五个分子间氢键的平面结构。没食子酸具有重要的抗氧化和抗癌活性。本文报道了没食子酸的红外和拉曼光谱研究。

应用

没食子酸一水合物可用作 Folin-Ciocalteu 光度法测定总酚含量的标准品。

WGK

WGK 2

闪点(°F)

closed cup

闪点(°C)

closed cup

个人防护装备

dust mask type N95 (US), Eyeshields, Gloves


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A third monoclinic polymorph of 3, 4, 5-trihydroxybenzoic acid monohydrate.
Demirtas G, et al.
Acta Crystallographica Section E, Structure Reports Online, 67(6), o1509-o1510 (2011)
Gallic acid: a versatile antioxidant with promising therapeutic and industrial applications.
Badhani B, et al.
Royal Society of Chemistry Advances, 5(35), 27540-27557 (2015)
Antioxidant properties and total phenolics content of green and black tea under different brewing conditions.
Liebert M, et al.
European Food Research and Technology, 208(3), 217-220 (1999)
Vibrational spectroscopic study on the quantum chemical model and the X-ray structure of gallic acid, solvent effect on the structure and spectra.
Billes F, et al.
Vibrational Spectroscopy, 43(1), 193-202 (2007)
Claudriana Locatelli et al.
Bioorganic & medicinal chemistry, 16(7), 3791-3799 (2008-02-26)
Gallic acid and gallates with the same number of hydroxyl groups and varying the length of the side carbon chain, with respective lipophilicity being defined through the ClogP values, were examined for their ability to induce apoptosis (through the DNA

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