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
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 a
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