间羟基苯甲酸

概述规格名称和识别符技术文档高级数据系统学分类三维结构关联靶点（人）关联靶点（其它种属）作用机制质检证书（CoA,COO,BSE/TSE 和分析图谱) 化学和物理性质安全和危险性（GHS）此产品的引用文献技术文档和文章引用文献溶液计算器常见问题

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为什么选择此级别

提供 ≥98% 纯度，适用于对基线干扰要求严格的色谱和分析工作流程。

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储存与运输

避光,室温。常规运输。请查阅批次 COA 获取详细规格。

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质量文档

SDS、COA、产品数据表及规格说明书均可下载。可通过批号查询获取批次 COA。

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文献证明

在色谱分析、有机合成和交叉偶联反应领域已被 41 篇同行评审文献引用。

概述

易溶于热水，溶于乙醇和乙醚，微溶于冷水，不溶于苯。。半数致死量(大鼠，腹腔)3700mg/kg。有刺激性。用作杀菌剂、涂料、防腐剂、离子交换剂、增塑剂及医药的中间体，也可用来合成偶氮染料等。

规格

别名

3-羟基苯甲酸 | 间水杨酸

英文别名

meta-hydroxybenzoate | 713EC407-4844-477D-8207-DBD66E398D2C | C00587 | 3-Carboxyphenol | NSC55746 | NSC-55746 | m-salicylate | NCGC00248676-01 | EINECS 202-726-5 | PD144440 | SCHEMBL40078 | EN300-17318 | HY-W004049 | Tox21_200527 | BDBM50336491 | 3-Hydrox

规格或纯度

≥98%

英文名称

3-Hydroxybenzoic acid

应用

用作杀菌剂、涂料、防腐剂、离子交换剂、增塑剂及医药的中间体，也可用来合成偶氮染料等。

储存条件

避光,室温

运输条件

常规运输

纯度

≥98%

名称和识别符

PubChem SID

488180421

EC号

202-726-5

分子类型

小分子

IUPAC Name

3-hydroxybenzoic acid

INCHI

1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)

InChi Key

IJFXRHURBJZNAO-UHFFFAOYSA-N

Smiles

C1=CC(=CC(=C1)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)O)C(=O)O

分子量

138.12

Beilstein号

508160

Reaxy-Rn

508160

Reaxys-RN link address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=508160&ln=

技术文档

📋 安全数据表 (SDS)

全面的危险、操作、储存及法规合规文件。

下载 SDS →

✅ 分析证书 (COA)

批次质量数据。输入批号以获取对应 COA。

查询 COA →

📊 产品数据表

产品规格和应用的快速参考摘要。

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🔬 规格说明书

该级别的完整质量属性和验收标准。

查看规格说明 →

高级数据

系统学分类

分类树（Taxonomy Tree）

界（kingdom) 有机化合物
- 超类（Superclass) 苯类化合物
  - 类（Class) 苯及其取代衍生物
    - 亚类（Subclass）苯甲酸及其衍生物

界（kingdom)	有机化合物
超类（Superclass)	苯类化合物
类（Class)	苯及其取代衍生物
亚类（Subclass）	苯甲酸及其衍生物
中间层级节点（Intermediate Tree Nodes）	暂无
直接上位类(Direct Parent)	羟基苯甲酸衍生物
其他上位类（Alternative Parents）	苯甲酸苯甲酰衍生物 1-羟基-4-未取代苯类化合物 1-羟基-2-未取代苯类化合物一元羧酸及其衍生物羧酸有机氧化合物有机氧化物碳氢化合物衍生物
分子骨架（Molecular Framework)	芳香族同单环化合物
取代基（Substituents）	1-羟基-2-未取代苯环化合物 - 1-羟基-4-未取代苯环化合物 - 芳香族同单环化合物 - 苯甲酸 - 苯甲酰 - 羧酰胺基 - 羧酸衍生物 - 烃衍生物 - 羟基苯甲酸 - 单羧酸或其衍生物 - 有机氧化物 - 有机氧化合物 - 有机氧化合物 - 苯酚
描述（Description）	该化合物属于羟基苯甲酸衍生物类有机化合物。这类化合物以羟基苯甲酸（或其衍生物）为核心结构，即苯环上同时存在羧基和羟基的化合物。
外部描述符（External Descriptors）	monohydroxybenzoic acid

三维结构

交互式化学结构模型

球棍
棍棒
线框模型
空间填充
显示氢气
动画

关联靶点（人）

CA2 Tclin 碳酸酐酶2(Carbonic anhydrase 2) (1 活性数据)

点击查看靶蛋白信息： CA2

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

CA2 Tclin Carbonic anhydrase II (17698 活性数据)

点击查看靶蛋白信息： CA2

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

VDR Tclin Vitamin D receptor (26531 活性数据)

点击查看靶蛋白信息： VDR

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

CA6 Tclin Carbonic anhydrase VI (993 活性数据)

点击查看靶蛋白信息： CA6

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

CA1 Tclin Carbonic anhydrase I (13240 活性数据)

点击查看靶蛋白信息： CA1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

NEU3 Tchem Sialidase 3 (398 活性数据)

点击查看靶蛋白信息： NEU3

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

CA12 Tclin Carbonic anhydrase XII (6231 活性数据)

点击查看靶蛋白信息： CA12

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

CA9 Tclin Carbonic anhydrase IX (8255 活性数据)

点击查看靶蛋白信息： CA9

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

关联靶点（其它种属）

Ptpn1 Protein-tyrosine phosphatase 1B (270 活性数据)

点击查看靶蛋白信息： Ptpn1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Hcar2 Hydroxycarboxylic acid receptor 2 (55 活性数据)

点击查看靶蛋白信息： Hcar2

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Carbonic anhydrase (69 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Ralstonia solanacearum (520 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Saccharomyces cerevisiae (19171 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

化学和物理性质

溶解性

Slightly soluble in water;Solubility in Methanol:almost transparency;

密度

1.375

敏感性

对光敏感

闪点(℉)

428°F

闪点(℃)

220℃

熔点

201-207℃

分子量

138.120 g/mol

XLogP3

1.500

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

138.032 Da

单同位素质量Monoisotopic Mass

138.032 Da

拓扑极表面积Topological Polar Surface Area

57.500 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

133.000

同位素原子数Isotope Atom Count

定义的原子立体中心计数Defined Atom Stereocenter Count

未定义的原子立体中心计数Undefined Atom Stereocenter Count

定义的键立体中心计数Defined Bond Stereocenter Count

未定义的键立体中心计数Undefined Bond Stereocenter Count

所有立体化学键的总数The total count of all stereochemical bonds

共价键合单元计数Covalently-Bonded Unit Count

安全和危险性（GHS）

象形图

GHS07

信号词

警告

危险声明

H302: 吞食有害

H315: 引起皮肤刺激

H319: 引起严重眼睛刺激

H335: 可能引起呼吸道刺激

预防措施声明

P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾

P264: 处理后要彻底洗手。

P270: 使用本产品时，请勿进食、饮水或吸烟。

P271: 仅在室外或通风良好的地方使用。

P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。

P321: 特殊处理（请参阅此标签上的...）。

P330: 漱口

P302+P352: 如皮肤沾染：用水充分清洗。

P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。

P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。

P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。

P405: 密闭存放

P403+P233: 存放在通风良好的地方。保持容器密闭。

P501: 将内容物/容器处理到。。。

P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。

P301+P317: 如果被吞咽：请寻求医疗帮助。

P337+P317: 如果眼睛刺激持续：寻求医疗帮助。

P332+P317: 如果出现皮肤刺激：请寻求医疗帮助。

P319: 如果你感到不适，请寻求医疗帮助。

WGK Germany

RTECS

DH1924980

个人防护装备

dust mask type N95 (US),Eyeshields,Gloves

质检证书（CoA,COO,BSE/TSE 和分析图谱)

C of A & Other Certificates(BSE/TSE, COO):

输入批号以搜索分析图谱:

通过匹配包装上的批号来查找并下载产品的 COA，每批产品都进行了严格的验证，您可放心使用！

找到21个结果

批号(Lot Number)	证书类型	货号
H2205236	分析证书	H104349
H2205231	分析证书	H104349
H2205230	分析证书	H104349
K2102115	分析证书	H104349
D2416302	分析证书	H104349
D2416303	分析证书	H104349
D2416304	分析证书	H104349
E2429042	分析证书	H104349
D2515010	分析证书	H104349
K2327046	分析证书	H104349
I2516096	分析证书	H104349
I2505137	分析证书	H104349
H2625052	分析证书	H104349
D2308214	分析证书	H104349
D2515008	分析证书	H104349
D2308223	分析证书	H104349
D2308219	分析证书	H104349
D2308218	分析证书	H104349
D2308217	分析证书	H104349
D2308216	分析证书	H104349
H2205232	分析证书	H104349

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技术文档和文章

水杨酸向儿茶酚转化的酶促羟化机制

目录：技术文章

探索主题:

NADH FAD 水杨酸儿茶酚水杨酸羟化酶黄素单加氧酶脱羧羟化芳香族降解

Enzymatic Hydroxylation Mechanism of Salicylate Conversion to Catechol

目录：技术文章

探索主题:

NADH FAD Salicylate Catechol Salicylate hydroxylase Flavin monooxygenase Decarboxylative hydroxylation Aromatic compound degradation

此产品的引用文献

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引用文献

1. Du Wei, Gao Feng, Cui Peng, Yu Zhiwu, Tong Wei, Wang Jihao, Ren Zhuang, Song Chuang, Xu Jiaying, Ma Haifeng, Dang Liyun, Zhang Di, Lu Qingyou, Jiang Jun, Wang Junfeng, Pi Li, Sheng Zhigao, Lu Qingyi. (2023) Twisting, untwisting, and retwisting of elastic Co-based nanohelices. Nature Communications, 14 (1): (1-10). [PMID:37481654] [10.1038/s41467-023-40001-w]
2. Xin Lv, Chenying Zhou, Zhichao Shen, Yuchen Zhang, Chuanshu He, Ye Du, Zhaokun Xiong, Rongfu Huang, Peng Zhou, Bo Lai. (2023) Waste leather derived porous carbon boosted Fenton oxidation towards removal of diethyl phthalate: Mechanism and long-lasting performance. JOURNAL OF HAZARDOUS MATERIALS, [PMID:37451102] [10.1016/j.jhazmat.2023.132040]
3. Hui Zhang, Huahui Zeng, Mengfei Li, Yagang Song, Shuo Tian, Jing Xiong, Lan He, Yang Liu, Xiangxiang Wu. (2022) Novel Ascorbic Acid Co-Crystal Formulations for Improved Stability. MOLECULES, 27 (22): (7998). [PMID:36432100] [10.3390/molecules27227998]
4. Yuchen Zhang, Peng Zhou, Rongfu Huang, Chenying Zhou, Yang Liu, Heng Zhang, Xiaowei Huo, Jian Zhao, Zhaokun Xiong, Bo Lai. (2022) Iron boride boosted Fenton oxidation: Boron species induced sustainable FeIII/FeII redox couple. JOURNAL OF HAZARDOUS MATERIALS, [PMID:36444072] [10.1016/j.jhazmat.2022.130386]
5. Xin Wang, Jinshuang Hu, Boxuan Yao, Hua Wei, Caiyun Zhang, Jiarui Zhou, Jian Liu, Shenghong Yang. (2022) Bridging environmental and biological monitoring: Constructing platform for hexavalent chromium detection and cancer-cells screening based on red fluorescent carbonized polymer dots. CHEMICAL ENGINEERING JOURNAL, [10.1016/j.cej.2022.138524]
6. Yiming Sun, Peng Zhou, Peng Zhang, Shuang Meng, Chenying Zhou, Yang Liu, Heng Zhang, Zhaokun Xiong, Xiaoguang Duan, Bo Lai. (2022) New insight into carbon materials enhanced Fenton oxidation: A strategy for green iron(III)/iron(II) cycles. CHEMICAL ENGINEERING JOURNAL, [10.1016/j.cej.2022.138423]
7. Xianhu Long, Zhaokun Xiong, Rongfu Huang, Yahan Yu, Peng Zhou, Heng Zhang, Gang Yao, Bo Lai. (2022) Sustainable Fe(III)/Fe(II) cycles triggered by co-catalyst of weak electrical current in Fe(III)/peroxymonosulfate system: Collaboration of radical and non-radical mechanisms. APPLIED CATALYSIS B-ENVIRONMENTAL, [10.1016/j.apcatb.2022.121716]
8. Shan Tu, Zhigang Wang, Wentao Zhang, Yuanpeng Li, Yulai She, Hao Du, Cancan Yi, Bo Qin, Zhiqiang Liu. (2022) A new technology for rapid determination of isomers of hydroxybenzoic acid by terahertz spectroscopy. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, [PMID:35598575] [10.1016/j.saa.2022.121313]
9. Shan Tu, Zhigang Wang, Wentao Zhang, Huapeng Xiao, Yulai She, Yuan Tang, Cancan Yi, Guoling Liang. (2021) Study of weak intermolecular interactions and vibrational modes in hydroxybenzoic acid isomers using terahertz spectroscopy and density functional theory techniques. INFRARED PHYSICS & TECHNOLOGY, [10.1016/j.infrared.2021.103950]
10. Yunan Zhang, Yu Duan, Jin Su, Lixin Liu, Yanru Feng, Lili Wu, Lei Zhang, Yunjie Zhang, Dongyu Zou, Yingli Liu. (2021) Inspiration for revival of old drugs: improving solubility and avoiding hygroscopicity of pipemidic acid by forming two pharmaceutical salts based on charge-assisted hydrogen bond recognitions. NEW JOURNAL OF CHEMISTRY, 45 (42): (19704-19713). [10.1039/D1NJ03314J]
11. Haipeng Jiang, Xin Qu, Li He, Zheng Lv, Dan Li, Fengyou Wang, Lin Fan, Jinghai Yang, Lili Yang, Yongsheng Yan. (2021) A design strategy of additive molecule for PSCs: Anchoring intrinsic properties of functional groups by suppressing long-range conjugation effect. CHEMICAL ENGINEERING JOURNAL, [10.1016/j.cej.2021.131676]
12. Qi Zhou, Xuelin Dong, Binbin Zhang, Shan Lu, Xinwei Zhang, Qin Wang, Yonggui Liao, Yajiang Yang, Hong Wang. (2020) Luminescence sensitization of terbium-loaded supramolecular gels by hydroxybenzoic acids and used for salicylates sensing. TALANTA, [PMID:33592780] [10.1016/j.talanta.2020.122061]
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14. Jinyue Yang, Na Wang, Beiqian Tian, Xiongtao Ji, Baohong Hou, Ting Wang, Xin Huang, Junquan Su, Zhanao Yang, Hongxun Hao. (2020) Multicomponent supramolecular assembly of p-hydroxybenzoic acid and malonic acid: a deep insight into the formation of selective cocrystals. CRYSTENGCOMM, 22 (34): (5628-5637). [10.1039/D0CE00833H]
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18. Chen Xin, Tang Hongzhi, Liu Yongdi, Xu Ping, Xue Yong, Lin Kuangfei, Cui Changzheng. (2018) Purification and Initial Characterization of 3-Hydroxybenzoate 6-Hydroxylase From a Halophilic Martelella Strain AD-3. Frontiers in Microbiology, [PMID:30034371] [10.3389/fmicb.2018.01335]
19. Lala Rukh Sidra, Guofei Chen, Cuiyun Li, Nafeesa Mushtaq, Kai Ma, Xingzhong Fang. (2018) Processable, high Tg polyimides from unsymmetrical diamines containing 4-phenoxy aniline and benzimidazole moieties. POLYMER, [10.1016/j.polymer.2018.06.036]
20. Lala Rukh Sidra, Guofei Chen, Nafeesa Mushtaq, Kai Ma, Beenish Bashir, Xingzhong Fang. (2018) Processable poly(benzoxazole imide)s derived from asymmetric benzoxazole diamines containing 4-phenoxy aniline: synthesis, properties and the isomeric effect. Polymer Chemistry, 9 (20): (2785-2796). [10.1039/C8PY00382C]
21. Dan Liu, Ting Qiao, Haiyan Liu, Xiaoling Wang, Zhi-guo Shi. (2017) A simple approach to prepare a sulfone-embedded stationary phase for HPLC. JOURNAL OF SEPARATION SCIENCE, 41 (4): (877-885). [PMID:29205869] [10.1002/jssc.201700751]
22. Jun Fang Jiang, Juan Qiao, Xiao Yu Mu, Myeong Hee Moon, Li Qi. (2016) Fabrication of enzyme reactor utilizing magnetic porous polymer membrane for screening D-Amino acid oxidase inhibitors. TALANTA, [PMID:28153250] [10.1016/j.talanta.2016.12.055]
23. Hai-yan Liu, Zhi-yong Li, Dan Liu, Ying-Wen Xue, Zhi-guo Shi. (2016) A simple method for the synthesis of a polar-embedded and polar-endcapped reversed-phase chromatographic packing with low activity of residue silanols. JOURNAL OF CHROMATOGRAPHY A, [PMID:27033982] [10.1016/j.chroma.2016.03.043]
24. Qing Wang, Ling Tong, Lin Yao, Peng Zhang, Li Xu. (2016) Fingerprinting of traditional Chinese medicines on the C18-Diol mixed-mode column in online or offline two-dimensional liquid chromatography on the single column modes. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, [PMID:27031576] [10.1016/j.jpba.2016.03.033]
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26. Yuan Su, Xiaoyu Mu, Li Qi. (2015) Development of a capillary electrophoresis system with Mn(II) complexes and β-cyclodextrin as the dual chiral selectors for enantioseparation of dansyl amino acids and its application in screening enzyme inhibitors. RSC Advances, 5 (36): (28762-28768). [10.1039/C5RA02744F]
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