4-Hydroxyisophthalic acid 4-羟基间苯二甲酸

CAS 636-46-4 MFCD00010391

化学结构图

636-46-4
SMILES: O=C(O)c1ccc(O)c(C(=O)O)c1

化学属性

Mol. FormulaC8H6O5
Mol. Weight182.13
Melting Point>300 °C
Boiling Point447.5 °C at 760 mmHg

别名和识别编码

Chemical Name4-Hydroxyisophthalic acid
CAS Number636-46-4
Synonym 4-Hydroxyisophthalic acid {LY} 4-Hydroxyisophthalic acid {} {LY} 4-Hydroxyisophthalic acid {} {} {LY} 4-Hydroxyisophthalic acid {} {} {} {LY} 4-Hydroxyisophthalic acid {} {} {} {} {LY} 4-Hydroxyisophthalic acid {} {} {} {} {} {LY} 4-Hydroxyisophthalic acid {} {} {} {} {} {} {LY} 4-Hydroxyisophthalic acid {} {} {} {} {} {} {} {LY} 4-Hydroxyisophthalic acid {} {} {} {} {} {} {} {} {LY} 4-Hydroxyisophthalic acid {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxyisophthalic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxyisophthalic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxyisophthalic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxyisophthalic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxyisophthalic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxyisophthalic acid
MDL NumberMFCD00010391
EC Number211-258-0
Beilstein Registry Number2211981
Reaxys-RN2211981
PubChem Substance ID12490
Merck Number4827
Chemical Name Translation4-羟基间苯二甲酸
LabNetwork Molecule IDLN00193445
InChIInChI=1S/C8H6O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
Canonical SMILESO=C(O)C1=CC(C(O)=O)=CC=C1O
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分类

  • {SNA} Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, New Products for Chemical Synthesis, Organic Building Blocks
  • Impurities
  • {SNA} Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • Aromatics
  • {SNA} Analytical Standards, EP Standards, EP Standards S - T, Pharmacopeia Metrological Institutes Standards, 分析/色谱
  • {SNA} Analytical Standards, Analytical/Chromatography, Chromatography, EP Standards, EP Standards S - T, Pharmaceutical Standards, Pharmacopeia Standards

产品应用

  • 4-Hydroxyisophthalic acid has been proposed as an improvement over aspirin. An impurity of Acetylsalicylic acid (A187780).

相关文献及参考

  • Chester, et al.: Nature, 206, 175 (1955),

安全信息

RTECSNT2544000
Signal word Danger
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
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。
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • P305+P351+P338
GHS Symbol
WGK Germany3
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • 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；
  • S36/37/39 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；
Hazard Codes Xn Xi
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
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1071 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: 11,20,1956

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia,
   Italy)  V.8-43 1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 16,200,1961

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 4-羟基间苯二甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0257 4-羟基间苯二甲酸 4-Hydroxyisophthalic Acid 25G 3340元
  • MSDS 信息:4-Hydroxy-1,3-benzenedecarboxylic acid(636-46-4).msds
  • MOL 文件:636-46-4.mol
  • Sigma Aldrich:636-46-4(sigmaaldrich)
  • TCI Shanghai:4-羟基间苯二甲酸 4-Hydroxyisophthalic Acid,>;98.0%(LC)(T)(636-46-4)

系列性分类

  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. C8 - Carboxylic Acids

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