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


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