2,4-二羟基苯甲酸

2,4-Dihydroxybenzoic Acid

HCID 1491CAS 89-86-1
子结构检索查找相似结构

基本信息

标准SMILES
O=C(O)c1ccc(O)cc1O
InChIKey
UIAFKZKHHVMJGS-UHFFFAOYSA-N
分子式
C7H6O4
平均分子量
154.12 g/mol
单同位素质量
154.02660867

名称与标识

首选名称
2,4-Dihydroxybenzoic Acid
IUPAC
2,4-dihydroxybenzoic acid
中文名
2,4-二羟基苯甲酸
英文名
2,4-Dihydroxybenzoic acid
分子式
C7H6O4
分子量
154.12

名称与别名

2,4-dihydroxybenzoic acid89-86-1beta-Resorcylic acid4-Hydroxysalicylic acid4-Carboxyresorcinolp-Hydroxysalicylic acidBenzoic acid, 2,4-dihydroxy-beta-Resorcinolic acidRESORCYLIC ACID, BETACoupler 320DTXSID0025074LU39SC9JYL
展开更多名称
雷琐酸β-雷琐酸树脂酚甲酸雷锁辛甲酸雷琐辛甲酸Β-雷鎖酸β-雷琐酸Β-雷鎖酸Β-雷锁辛酸β-雷琐辛酸2,4-Dhba2,4-Dihydrox2,4-Dihydroxybenzoesure4-Dihydroxybenzoic acidSodium aminosalicylate Impurity 32,4-Dihydroxybenzoic Acid, ≥ 98.0%2,4-DIHYDROXYBENZOIC ACID / BETA-RESORCYLIC ACIDBRA
NSC-4740NSC-13564DTXCID205074FEMA NO. 3798RefChem:567952201-946-9.beta.-Resorcylic acidMFCD00002451

数据库标识

CAS
89-86-1
PubChem CID
1491
DTXSID
DTXSID0025074
ChEMBL
CHEMBL328910
ChEBI
CHEBI:42094
UNII
LU39SC9JYL
EC Number
201-946-9
Nikkaji
J4.310I

性质

结构计算性质

XLogP
1.6
极性表面积
77.8 Ų
氢键供体
3
氢键受体
4
可旋转键
1
重原子
11

实验与物化性质

LogP · 2 条

1.63

1.63

Solubility · 4 条

5780

5.78 mg/mL at 25 °C

soluble in hot water, organic solvents, oils

soluble (in ethanol)

Boiling Point309.00 to 310.00 °C. @ 760.00 mm Hg
Melting Point · 2 条

226

218 - 219 °C

Vapor Pressure0.0000021 [mmHg]
Physical Description · 3 条

Solid; [Merck Index] White powder; [Alfa Aesar MSDS]

Solid

hydrated white crystals with a faint phenolic odour

物理化学性质

熔点
208 · 208-211 °C (dec.) (lit.)
沸点
237.46 °C · 237.46°C (rough estimate)
密度
1.3725 · 1.3725 (rough estimate)
蒸气压
0 Pa · 0Pa at 25℃
折射率
1.671 · 1.6710 (estimate)
FEMA
3798 · 3798 | 2,4-DIHYDROXYBENZOIC ACID

化学性质

白色针状结晶。从水中结晶时含有结晶水，在100℃时变成无水物。熔点218-219℃（急热的熔点213℃）。溶于热水、乙醇、乙醚。在水、酸或盐溶液中煮沸会脱去二氧化碳。与氯化铁作用呈红色。

安全与法规

GHS分类

GHS Classification · 5 条

Warning

H315 (89.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (90.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (87.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 55 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危害信息

Regulatory Information · 4 条

Chemical: Benzoic acid, 2,4-dihydroxy-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 03-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/26724；Status: Active Update: 16-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20707

Benzoic acid, 2,4-dihydroxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntraperitoneal LD50 (mouse) > 800 mg/kg; [RTECS] Safe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (89.1%)；Eye Irrit. 2A (90.9%)；STOT SE 3 (87.3%)

安全与防护

Protective Action Criteria (PAC) · 3 条

10 [mg/m3]

110 [mg/m3]

660 [mg/m3]

法规信息

Regulatory Information · 4 条

Chemical: Benzoic acid, 2,4-dihydroxy-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 03-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/26724；Status: Active Update: 16-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20707

Benzoic acid, 2,4-dihydroxy-: Does not have an individual approval but may be used under an appropriate group standard

安全数据

wgk
1
tsca
TSCA listed
RTECS号
VH3708050
存储类别
11 - Combustible Solids
安全说明
26-36-37/39
海关编码
29182990

毒性防护

毒性GRAS(FEMA)。

化学与工业

药理信息

Cellular LocationsCytoplasm；Extracellular

用途与制造

Uses · 2 条

Used as a test reagent for iron and an intermediate (dyestuffs and drugs); [Merck Index] Used as flavoring agent or adjuvant; [FDA]

Synthetic Polymer MALDI Matrix Compounds

Use Classification · 3 条

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationBenzoic acid, 2,4-dihydroxy-: ACTIVE
应用领域 · 5 条

简介2，4-二羟基苯甲酸温常压下比较稳定，无臭或微有酚臭味，味微苦。此外，其具有抗氧化作用，通常用作食品添加剂中的抗氧化剂。而且它是一种重要的医药中间体，可用于合成2，4-二羟基苯甲酸。

用途该品兼有间苯二酚和水杨酸的化学性质，用于化学试剂比色测定铁、钛和其他元素；用于有机合成时，主要是作染料及药物中间体。2,4-二羟基苯甲酸在酸性媒介桃红3BM的生产中是一种主要的原料，每吨染料消耗该品（按100%）157kg。

用途用作染料中间体、医药及试剂

用途用作染料、医药、农药中间体

用途铁的点滴分析试剂。染料及药物中间体。该品兼有间苯二酚和水杨酸的化学性质，用于化学试剂比色测定铁、钛和其他元素；用于有机合成时，主要是作染料及药物中间体。

制备方法

生产方法由间苯二酚经羟基化而得。

上下游产品信息

试剂价格

HY-W012575R · 10 mg
2,4-二羟基苯甲酸2,4-Dihydroxybenzoic acid (Standard) — 264元
HY-W012575R · 25 mg
2,4-二羟基苯甲酸2,4-Dihydroxybenzoic acid (Standard) — 424元

供应商50 家

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]

相关反应

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