3,4-Dihydroxybenzoic acid 3,4-二羟基苯甲酸

CAS 99-50-3 MFCD00002509

化学结构图

99-50-3
SMILES: O=C(O)c1ccc(O)c(O)c1

化学属性

Mol. FormulaC7H6O4
Mol. Weight154.12
Melting Point197-200°C
Density1.559
TSCANo
Stability对光敏感
Appearance 白色至微棕色针状结晶。熔点约200℃（分解）。溶于热水、乙醇和乙醚，微溶于冷水，不溶于苯。在沸水中分解，并放出二氧化碳。水溶液遇三氯化铁呈绿色，遇碳酸氢钠呈暗红色。
SolubilitySoluble in water (1:50), ethanol, and ether.
Boiling Point237.46 °C at 760 mmHg

别名和识别编码

Chemical Name3,4-Dihydroxybenzoic acid
CAS Number99-50-3
Alfabeta NameDIHYDROXYBENZOICACID 34-,
MDL NumberMFCD00002509
Synonym Protocatechuic acid {LY} Protocatechuic acid {} {LY} Protocatechuic acid {} {} {LY} Protocatechuic acid {} {} {} {LY} Protocatechuic acid {} {} {} {} {LY} Protocatechuic acid {} {} {} {} {} {LY} Protocatechuic acid {} {} {} {} {} {} {LY} Protocatechuic acid {} {} {} {} {} {} {} {LY} Protocatechuic acid {} {} {} {} {} {} {} {} {LY} Protocatechuic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Protocatechuic acid {} {} {} {} {} {} {} {} {} {} {LY} Protocatechuic acid {} {} {} {} {} {} {} {} {} {} {} {LY} Protocatechuic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} Protocatechuic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Protocatechuic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Protocatechuic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Protocatechuic acid {} {} {} {} {} {} {} {} {} {} {} {} {
Beilstein Registry Number1448841
EC Number202-760-0
Reaxys-RN1448841
PubChem Substance ID72
Merck Number7894
Chemical Name Translation3,4-二羟基苯甲酸
Wiswesser Line NotationQVR CQ DQ
LabNetwork Molecule IDLN00173718
InChIInChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)
Canonical SMILESO=C(O)C1=CC=C(O)C(O)=C1
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分类

  • {SNA} A - D, A-F, Acid, Alcoholic & Nonalcoholic Beverages, Alcohols and Phenols, Allium, Alphabetical, Anacardium, Analytical Standards, Animal Products, Arctostaphylos, Beans, Beer,
  • {SNA} A - D,

产品应用

  • A phenolic acid antioxidant and chemopreventive agent

相关文献及参考

  • Merck: 14,7894 Beilstein:10,389
  • Merck: 14,7894
  • Merck 14 ,7894
  • Tseng, T.H., et al., Induction of apoptosis by hibiscus protocatechuic acid in human leukemia cells via reduction of retinoblastoma (RB) phosphorylation and Bcl-2 expression. Biochem. Pharmacol. 60 , 307-315, (2000) 摘要

安全信息

Warnings IRRITANT
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P302+P350
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • P337+P313
  • 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
GHS Symbol
RTECSUL0560000
Signal word Warning
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
WGK Germany3
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；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S37 Wear suitable gloves 戴适当手套；
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
Storage condition 2-8°C {LY} 2-8°C Air Sensitive {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >800 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 196,478,1976

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            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 3 gm/L
REFERENCE :
   CALEDQ Cancer Letters (Shannon, Ireland).  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1975- Volume(issue)/page/year:
   14,251,1981

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 300 mg/L
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   11,523,1988

其他信息

  • 3,4-二羟基苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30063680 3，4-二羟基苯甲酸;原儿茶酸 25g 238元 2011/08/23 30063660 3，4-二羟基苯甲酸;原儿茶酸 25g 110元 2011/04/16 C0055 3,4-二羟基苯甲酸 3,4-Dihydroxybenzoic Acid 500G 4730元
  • 海关编码:29182990
  • Sigma Aldrich:99-50-3(sigmaaldrich)
  • 用途一:用作染料、医药中间体
  • 用途三:在几种动物的致癌实验中有化学阻止作用，阻止细胞起始后相细胞的扩增，分析试剂（检定铁）。
  • TCI Shanghai:3,4-二羟基苯甲酸 3,4-Dihydroxybenzoic Acid,>;97.0%(T)(99-50-3)
  • 敏感性:Air Sensitive
  • 下游产品:邻苯二酚 --> 胡椒酸酰氯
  • MSDS 信息:3,4-Dihydroxybenzoic acid(99-50-3).msds
  • Acros Organics:原儿茶酸(3,4-二羟基苯甲酸) 3,4-Dihydroxybenzoic acid, 97%(99-50-3)
  • 方法一:由香草醛经碱熔、酸化而得。
  • 图谱信息:3,4-二羟基苯甲酸(99-50-3)红外图谱(IR1) 3,4-二羟基苯甲酸(99-50-3)质谱(MS) 3,4-二羟基苯甲酸(99-50-3)核磁图( 1 HNMR) 3,4-二羟基苯甲酸(99-50-3)Raman光谱 3,4-二羟基苯甲酸(99-50-3)核磁图( 13 CNMR) 3,4-二羟基苯甲酸(99-50-3)红外图谱(IR2)
  • 露置空气中变色。溶于乙醇和乙醚，溶于50份水，不溶于苯。水溶液遇三氯化铁呈绿色，遇碳酸氢钠呈暗红色。有刺激性。
  • 上游原料:香兰素
  • MOL 文件:99-50-3.mol
  • 用途二:用作染料、医药的中间体、分析试剂（检定铁）。
  • 检测方法:HPLC,NMR
  • Alfa Aesar:3,4-二羟基苯甲酸,97% 3,4-Dihydroxybenzoic acid, 97%(99-50-3)

系列性分类

  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Chemical Classification - Nutrition Research
  4. Plant Extracts - Phytochemicals by Chemical Classification
  1. Life Science 生命科学
  2. Cancer Research
  3. Chemopreventive Agents - Cancer Research
  4. Anti-proliferative Agents - Chemopreventive Agents
  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Plant (Food/Spice/Herb) - Nutrition Research
  4. Ginkgo biloba - Phytochemicals by Plant (Food/Spice/Herb)
  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 Standards
  3. Chromatography - Analytical Standards
  4. Life Sciences Standards - Chromatography
  5. Phytopharma Standards - Life Sciences Standards
  6. Standards by Plant Genus - Phytopharma Standards
  7. Arctostaphylos - Standards by Plant Genus
  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. Functional Group 官能团索引
  2. 1,2-diphenol

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