2,5-二羟基对苯二甲酸 | 610-92-4

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中文名称：2,5-二羟基对苯二甲酸
英文名称：2,5-Dihydroxyterephthalic acid
CAS No.：610-92-4 分子式：C₈H₆O₆ 分子量：198.1296
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击：2,5-二羟基对苯二甲酸结构式
MSDS：2,5-二羟基对苯二甲酸msds 价格行情：2,5-二羟基对苯二甲酸价格
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2,5-二羟基对苯二甲酸的其他展现形式

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名称和标识符

InChIKey	OYFRNYNHAZOYNF-UHFFFAOYSA-N
Inchi	1S/C8H6O6/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)
SMILES	O([H])C1C([H])=C(C(=O)O[H])C(=C([H])C=1C(=O)O[H])O[H]

别名信息

- 中文别名 -

2,5-二羟基对苯二甲酸 2,2-二乙氧基乙酰胺 2,5-Dihydroxyterephthalic Acid 2,5-二羟基对苯二甲酸 2,5-二羟基对苯二甲酸,2,5-Dihydroxyterephthalic acid 2,2-二氯-N-((1R,2R)-1,3-二羟基- 1-(4-碘苯基)丙烷- 2 -基)乙酰胺 2,5-二羟对酞酸 2,5-二羥對酞酸

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- 英文别名 -

2,5-Dihydroxyterephthalic acid 2,5-Dihydroxy-1,4-benzenedicarboxylic acid 2,2-DIETHOXYACETAMIDE 1,2,5-dihydroxy 1,4-Benzenedicarboxylic acid,2,5-dihydroxy 2,5-dihydroxyterephthalicacid 1,4-Benzenedicarboxylic acid, 2,5-dihydroxy- 2,5-dihydroxybenzene-1,4-dicarboxylic acid OYFRNYNHAZOYNF-UHFFFAOYSA-N zlchem 699 1, 2,5-dihydroxy- 2,5-Dihydroxytelephthalic acid ZLD0151 2,5-Dihydroxyterephthalic acid # BCP15405

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物化性质

实验特性

LogP	0.49420
PSA	115.06000
折射率	1.717
沸点	498.9℃ at 760 mmHg
熔点	339°C(dec.)(lit.)
闪点	269.6 °C
溶解度	Soluble in hot dimethylformamide.
颜色与性状	类似白色固体。
溶解性	。
密度	1.779

计算特性

精确分子量	198.01600
氢键供体数量	4
氢键受体数量	6
可旋转化学键数量	2
同位素质量	198.016438
重原子数量	14
复杂度	224
同位素原子数量	0
确定原子立构中心数量	0
不确定原子立构中心数量	0
确定化学键立构中心数量	0
不确定化学键立构中心数量	0
共价键单元数量	1
疏水参数计算参考值（XlogP）	1.4
互变异构体数量	6
表面电荷	0
拓扑分子极性表面积	115

安全信息纠错

符号：	GHS07
WGK Germany	3
安全术语	S26;S37/39
安全说明	S26-S37/39
风险术语	R36/37/38
危险品标志	Xi
危险品运输编号	NONH for all modes of transport
危害声明	H315-H319
警示性声明	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
提示语	警告
危险类别码	36/37/38
信号词	Warning

国际标准相关数据

EINECS	210-239-4
MDL	MFCD00132933

海关数据

海关编码

2918290000

海关数据

中国海关编码：

2918290000

概述：

2918290000 其他含酚基但不含其他含氧基羧酸及其酸酐、酰卤化物、过氧化物和过氧酸及它们的衍生物。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。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

监管条件：

A.入境货物通关单
B.出境货物通关单

检验检疫类别：

R.进口食品卫生监督检验
S.出口食品卫生监督检验

Summary：

HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%

相关文献

1. A series of three-dimensional lanthanide(iii) coordination polymers of 2,5-dihydroxy-1,4-benzenedicarboxylic acid based on dinuclear lanthanide units
Yu-Ling Wang,Yun-Liang Jiang,Qing-Yan Liu,Yan-Xi Tan,Jia-Jia Wei,Jian Zhang CrystEngComm 2011 13 4981

2. Synthesis, crystal structures and, magnetic and photoluminescence properties of lanthanide-based metal–organic frameworks constructed with 2,5-dihydroxybenzene-1,4-dicarboxylic acid
Sajjad Hussain,Xuenian Chen,William T. A. Harrison,Saeed Ahmad,Shahzad Sharif,Jian Su,Shabbir Muhammad,Shujun Li RSC Adv. 2020 10 12841

3. Synthesis, crystal structures and, magnetic and photoluminescence properties of lanthanide-based metal–organic frameworks constructed with 2,5-dihydroxybenzene-1,4-dicarboxylic acid
Sajjad Hussain,Xuenian Chen,William T. A. Harrison,Saeed Ahmad,Shahzad Sharif,Jian Su,Shabbir Muhammad,Shujun Li RSC Adv. 2020 10 12841

4. Diversity of lanthanide(iii)-2,5-dihydroxy-1,4-benzenedicarboxylate extended frameworks: syntheses, structures, and magnetic properties
Yu-Ling Wang,Yun-Liang Jiang,Zuo-Juan Xiahou,Jiang-Hong Fu,Qing-Yan Liu Dalton Trans. 2012 41 11428

5. Luminescent metal–organic frameworks for chemical sensing and explosive detection
Zhichao Hu,Benjamin J. Deibert,Jing Li Chem. Soc. Rev. 2014 43 5815

6. Metal–organic frameworks: versatile heterogeneous catalysts for efficient catalytic organic transformations
Adeel H. Chughtai,Nazir Ahmad,Hussein A. Younus,A. Laypkov,Francis Verpoort Chem. Soc. Rev. 2015 44 6804

7. Zinc-1,4-benzenedicarboxylate-bipyridine frameworks – linker functionalization impacts network topology during solvothermal synthesis
Sebastian Henke,Andreas Schneemann,Shobhna Kapoor,Roland Winter,Roland A. Fischer J. Mater. Chem. 2012 22 909

8. Rapid switch-on fluorescent detection of nanomolar-level hydrazine in water by a diacetoxy-functionalized MOF: application in paper strips and environmental samples
Soutick Nandi,Mostakim SK,Shyam Biswas Dalton Trans. 2020 49 12565

9. Photoactive Zr-aromatic hybrid thin films made by molecular layer deposition
Melania Rogowska,Ellen Bruzell,H?kon Valen,Ola Nilsen RSC Adv. 2022 12 15718

10. Recent advancements of metal–organic frameworks in sensing platforms: relevance in the welfare of the environment and the medical sciences with regard to cancer and SARS-CoV-2
Arindam Das,Sourav Bej,Nithun Ranjan Pandit,Priyabrata Banerjee,Biplab Biswas J. Mater. Chem. A 2023 11 6090

参考资料

Reaxys RN	2696052
Beilstein	10(4)2284

化合物详情（旧版）

SMILES

OC(=O)C1C(O)=CC(C(O)=O)=C(O)C=1