2,5-Dihydroxybenzoic acid 2,5-二羟基苯甲酸

CAS 490-79-9 MFCD00002460

化学结构图

490-79-9
SMILES: O=C(O)c1cc(O)ccc1O

化学属性

Mol. FormulaC7H6O4
Mol. Weight154.12
Melting Point204-208°C
TSCAYes
Density1.559
Solubility可溶
Stability对光敏感
Boiling Point406.9°C at 760 mmHg

别名和识别编码

Chemical Name2,5-Dihydroxybenzoic acid
Synonym 2,5-Dihydroxybenzoic acid {LY} 2,5-Dihydroxybenzoic acid {} {LY} 2,5-Dihydroxybenzoic acid {} {} {LY} 2,5-Dihydroxybenzoic acid {} {} {} {LY} 2,5-Dihydroxybenzoic acid {} {} {} {} {LY} 2,5-Dihydroxybenzoic acid {} {} {} {} {} {LY} 2,5-Dihydroxybenzoic acid {} {} {} {} {} {} {LY} 2,5-Dihydroxybenzoic acid {} {} {} {} {} {} {} {LY} 2,5-Dihydroxybenzoic acid {} {} {} {} {} {} {} {} {LY} 2,5-Dihydroxybenzoic acid {} {} {} {} {} {} {} {} {} {LY} 2,5-Dihydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Dihydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Dihydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Dihydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Dihydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Dihydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Dihydroxybenzoic acid {} {} {} {}
CAS Number490-79-9
PubChem Substance ID87567223
EC Number207-718-5
Beilstein Registry Number10(4)1441
MDL NumberMFCD00002460
Reaxys-RN2209119
Merck Number4398
Chemical Name Translation2,5-二羟基苯甲酸
Wiswesser Line NotationQVR BQ EQ
LabNetwork Molecule IDLN00195744
InChIInChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
Canonical SMILESOC(C=C1)=C(C(O)=O)C=C1O
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分类

  • {SNA} Analytical Reagents, Analytical/Chromatography, Mass Spectrometry (MS), Matrix Substances for MALDI-MS, Spectroscopy
  • {SNA} Mass Spectrometry (MS), Matricies for Mass Spectroscopy Analysis of Glycans, Matrix Substances for MALDI-MS, Spectroscopy, 分子生物学, 分析/色谱, 分析试剂, 多糖标记和分析, 糖生物学, 翻译后修饰, 蛋白质组学
  • {SNA} Analytical Reagents, Analytical/Chromatography, Mass Spectrometry (MS), Matricies for Mass Spectroscopy Analysis of Glycans, Matrix Substances for MALDI-MS,
  • {SNA} Armoracia rusticana (Horseradish),
  • {SNA} Mass Spectrometry (MS), Matrix Substances for MALDI-MS, Spectroscopy, 分析/色谱,

产品应用

  • D104393:阿斯匹林代谢物。龙胆酸本身是一种解热镇痛药，也用作医药中间体。
  • D119198:最常用的碳水化合物基质。用于 MALDI-MS 分析游离中性多糖。生成钠离子峰，可能有弱钾离子峰。通过加入合适的无机盐可生成其他物质。

相关文献及参考

  • [2]. IS Fernández, et al. Gentisic acid, a compound associated with plant defense and a metabolite of aspirin, heads a new class of in vivo fibroblast growth factor inhibitors. Journal of Biological Chemistry , 2010, 285(15):11714-29.
  • Merck: 14,4398
  • Merck: 14,4398 Beilstein: 10,IV,1441
  • [1]. Levy G, et al. Salicylate accumulation kinetics in man. N Engl J Med. 1972 Aug 31;287(9):430-2.
  • [1]. Levy G, et al. Salicylate accumulation kinetics in man. N Engl J Med. 1972 Aug 31;287(9):430-2.
  • [2]. IS Fernández, et al. Gentisic acid, a compound associated with plant defense and a metabolite of aspirin, heads a new class of in vivo fibroblast growth factor inhibitors. Journal of Biological Chemistry , 2010, 285(15):11714-29.

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H303 May be harmfully swallowed 吞食可能有害
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn Xn,Xi Xi
RTECSLY3850000
Precautionary statements
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P332+P313
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P305+P351+P338+P337+P313
  • P302+P350
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P302+P352+P332+P313+P362+P364
Signal word Warning
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BCFAAI Bollettino Chimico Farmaceutico.  (Societa Editoriale Farmaceutica,
   Via Ausonio 12, 20123 Milan, Italy)  V.33-    1894- Volume(issue)/page/year:
   112,53,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BJPCAL British Journal of Pharmacology and Chemotherapy.  (London, UK)
   V.1-33, 1946-68.  For publisher information, see BJPCBM.
   Volume(issue)/page/year: 8,30,1953

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 374 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   JAPMA8 Journal of the American Pharmaceutical Association, Scientific
   Edition.  (Washington, DC) V.29-49, 1940-60.  For publisher information, see
   JPMSAE.  Volume(issue)/page/year: 42,254,1953

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 1 mmol/L
REFERENCE :
   BCPCA6 Biochemical Pharmacology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.1-    1958-  Volume(issue)/page/year:
   29,1275,1980

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 380 mg/kg
SEX/DURATION            : female 9 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
REFERENCE :
   BCPCA6 Biochemical Pharmacology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.1-    1958-  Volume(issue)/page/year:
   22,407,1973

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 642 mg/kg
SEX/DURATION            : female 11 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD
   Pub. Ltd., P.O. Box 966, Westbury, NY 11590)  V.1-    1970-
   Volume(issue)/page/year: 38,209,1982

其他信息

  • 在空气中不稳定。遇三氯化铁呈蓝色。能还原斐林氏和多伦(Tollen's)试剂。溶于水、乙醇和乙醚，几乎不溶于二硫化碳、氯仿和苯。200℃开始升华。低毒，半数致死量(大鼠，经口)800mg/kg。有刺激性。
  • Sigma Aldrich:490-79-9(sigmaaldrich)
  • 用途二:阿斯匹林代谢物。龙胆酸本身是一种解热镇痛药，也用作医药中间体。
  • 2,5-二羟基苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010424 2，5-二羟基苯甲酸;龙胆酸; 5-羟基水杨酸 25g 198元 2011/04/16 D0569 2,5-二羟基苯甲酸 2,5-Dihydroxybenzoic Acid 25G 400元 2011/04/16 D0569 2,5-二羟基苯甲酸 2,5-Dihydroxybenzoic Acid 500G 4000元
  • 用途一:龙胆酸本身是一种解热镇痛药，也用作医药中间体
  • 下游产品:氟卡尼
  • 方法一:由对苯二酚经羟基化而得。
  • TCI Shanghai:2,5-二羟基苯甲酸[基质辅助的激光解吸电离飞行时间质谱的基质] 2,5-Dihydroxybenzoic Acid [Matrix for MALDI-TOF/MS],>;99.0%(GC)(T)(490-79-9)
  • 上游原料:1,4-苯二酚
  • 白色针状或棱柱状结晶.在空气中不稳定.遇三氯化铁呈蓝色.能还原斐林氏和多伦(Tollen's)试剂.溶于水、乙醇和乙醚,几乎不溶于二硫化碳、氯仿和苯.200℃开始升华.低毒,半数致死量(大鼠,经口)800mg/kg.有刺激性.
  • MOL 文件:490-79-9.mol
  • Acros Organics:2，5-二羟基苯甲酸 2,5-Dihydroxybenzoic acid, 99%(490-79-9)
  • Alfa Aesar:2,5-二羟基苯甲酸,99% 2,5-Dihydroxybenzoic acid, 99%(490-79-9)
  • 外观性质:灰白色粉末。
  • 海关编码:29182990
  • Hazard Note:Harmful
  • 图谱信息:2,5-二羟基苯甲酸(490-79-9)红外图谱(IR1) 2,5-二羟基苯甲酸(490-79-9)红外图谱(IR2) 2,5-二羟基苯甲酸(490-79-9)核磁图( 13 CNMR) 2,5-二羟基苯甲酸(490-79-9)质谱(MS)
  • MSDS 信息:2,5-二羟基苯甲酸(490-79-9).msds

系列性分类

  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Plant (Food/Spice/Herb) - Nutrition Research
  4. Panax ginseng - Phytochemicals by Plant (Food/Spice/Herb)
  1. Life Science 生命科学
  2. Proteomics 蛋白质组学
  3. Mass Spectrometry - Proteomics
  4. Matrices for MALDI Analysis - Mass Spectrometry
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Reagents
  3. Potable- & Waste-Water Testing - Analytical Reagents
  4. Kits/Cases - Potable- & Waste-Water Testing
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  6. C7 - Carboxylic Acids
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Reagents
  3. Spectroscopy - Analytical Reagents
  4. Mass Spectrometry (MS) - Spectroscopy
  5. Matrix Substances for MALDI-MS - Mass Spectrometry (MS)
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic acids
  1. Analytical & Chromatography 分析化学与色谱
  2. Mass Spectrometry
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids
  6. C6
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Proteomics
  4. Mass Spectrometry
  5. Enzymatic and Chemical Protein Cleavage
  6. Reagents for Chemical Cleavage of Proteins
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)