4-甲氧基水杨酸 (HCID 75231)

概述

2-hydroxy-4-methoxybenzoic acid is a methoxybenzoic acid that is benzoic acid substituted by hydroxy and methoxy groups at positions 2 and 4, respectively. It has a role as a plant metabolite. It is a methoxybenzoic acid and a monohydroxybenzoic acid. It is a conjugate acid of a 2-hydroxy-4-methoxybenzoate.

名称与标识

首选名称: 4-Methoxysalicylic Acid
IUPAC: 2-hydroxy-4-methoxybenzoic acid
中文名: 4-甲氧基水杨酸
英文名: 4-Methoxysalicylic acid
分子式: C8H8O4
分子量: 168.15

名称与别名

4-Methoxysalicylic acid2-Hydroxy-4-methoxybenzoic acid2237-36-7EINECS 218-801-0DTXSID50176906NSC 94304RefChem:524846DTXCID7099397218-801-0Benzoic acid, 2-hydroxy-4-methoxy-MFCD000024502-hydroxy-4-methoxy-benzoic acid

展开更多名称

对甲氧基水杨酸4-甲氧基水杨酸4-甲氧基水杨酸对照品4-甲氧基水杨酸标准品2-羟基-4-甲氧基苯甲酸2-羟基-4-甲氧基安息香酸4-甲氧基水杨酸, 97+%2-羟基-4-甲氧基苯甲酸/4-甲氧基水杨酸4-甲氧基水杨酸/2-羟基-4-甲氧基苯甲酸4-甲氧基水杨酸,10 MM DMSO 溶液AKOS 210-044-MethoxysaLASISCHEM D133574-MethoxysalicylicRARECHEM AL BE 00384-Methoxysalicylic a4-METHOXYSALICILICACIDP-MethoxysalicylicAcid

2-Hydroxy-p-anisic Acid4-methoxy salicylic acid2-Hydroxy-4-methoxybenzoicacidOXYBENZONE_met0124-methoxy-salicylic acidDIOXYBENZONE_met015NCIOpen2_001552MLS000517276

数据库标识

CAS: 2237-36-7
PubChem CID: 75231
DTXSID: DTXSID50176906
ChEMBL: CHEMBL507095
ChEBI: CHEBI:167809
EC Number: 218-801-0
Nikkaji: J213.133A

性质

结构计算性质

XLogP: 2
极性表面积: 66.8 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 2
重原子: 12
形式电荷: 0
复杂度: 168

实验与物化性质

Endocrine DisruptorsPotential endocrine disrupting compound

Collision Cross Section120.33 Å² [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

物理化学性质

熔点: 158 · 158-159 °C(lit.)
沸点: 217.07 °C · 217.07°C (rough estimate)
密度: 1.1816 · 1.1816 (rough estimate)
折射率: 1.4611 · 1.4611 (estimate)
RTECS号: 2270000 · DH2270000
储存条件: Inert atmosphere,Room Temperature
溶解度: soluble in Methanol
形态: Powder
酸度系数(pKa): 3.22 · 3.22±0.10(Predicted)
颜色: Off-white to beige
InChI: InChI=1S/C8H8O4/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)
InChIKey: MRIXVKKOHPQOFK-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=C(OC)C=C1O
LogP: 2.24 · 2.240 (est)
CAS 数据库: 2237 · 2237-36-7(CAS DataBase Reference)

化学性质

白色结晶体或粉末。熔点158-159℃。

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全数据

wgk: 3
hazard_note: Irritant
存储类别: 11 - Combustible Solids
安全说明: 26-37/39-36
海关编码: 29189900
危险品标志: Xi,Xn
危险性类别: Eye Irrit. 2Skin Irrit. 2STOT SE 3
危险类别码: 36/37/38-20/21/22

化学与工业

应用领域

用途4-甲氧基水杨酸是一种非竞争性的蘑菇酪氨酸酶活性抑制剂。

用途用作医药中间体

上下游产品信息

上游原料

2,4-二羟基苯甲酸乙醚盐酸氢氧化钠硫酸二甲酯

下游产品

2,4-二甲氧基苯甲酸

试剂价格

HY-75625 · 5 g: 4-甲氧基水杨酸2-Hydroxy-4-methoxybenzoic acid — 200元
HY-75625 · 10mM * 1mLin DMSO: 4-甲氧基水杨酸2-Hydroxy-4-methoxybenzoic acid — 220元

供应商50 家

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

科瑞迪化学400-821-5857 021-64326257 · [email protected]

关联笔记

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4-甲氧基水杨酸

基本信息

概述