3,4-Dihydroxy-5-methoxybenzaldehyde 3,4-二羟基-5-甲氧基苯甲醛

CAS 3934-87-0 MFCD00016610

化学结构图

3934-87-0
SMILES: COc1cc(C=O)cc(O)c1O

化学属性

Mol. FormulaC8H8O4
Mol. Weight168.15
Melting Point131-134 °C
Boiling Point339.9±37.0 °C at 760 mmHg

别名和识别编码

Chemical Name3,4-Dihydroxy-5-methoxybenzaldehyde
MDL NumberMFCD00016610
PubChem Substance ID24870141
CAS Number3934-87-0
EC Number223-513-3
Synonym 5-Hydroxyvanillin {LY} 5-Hydroxyvanillin {} {LY} 5-Hydroxyvanillin {} {} {LY} 5-Hydroxyvanillin {} {} {} {LY} 5-Hydroxyvanillin {} {} {} {} {LY} 5-Hydroxyvanillin {} {} {} {} {} {LY} 5-Hydroxyvanillin {} {} {} {} {} {} {LY} 5-Hydroxyvanillin {} {} {} {} {} {} {} {LY} 5-Hydroxyvanillin {} {} {} {} {} {} {} {} {LY} 5-Hydroxyvanillin {} {} {} {} {} {} {} {} {} {LY} 5-Hydroxyvanillin {} {} {} {} {} {} {} {} {} {} {LY} 5-Hydroxyvanillin {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Hydroxyvanillin {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Hydroxyvanillin {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Hydroxyvanillin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Hydroxyvanillin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Hydroxyvanillin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Hydroxyvanillin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Chemical Name Translation3,4-二羟基-5-甲氧基苯甲醛
Wiswesser Line NotationVHR CQ DQ EO1
Beilstein Registry Number1956546
InChIKeyRRKMWVISRMWBAL-UHFFFAOYSA-N
LabNetwork Molecule IDLN00225292
Canonical SMILESO=CC1=CC(OC)=C(C(O)=C1)O
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分类

  • Aldehydes, Building Blocks, C8, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
  • {SNA} Aldehydes, Building Blocks, C8, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks

安全信息

WGK Germany3
GHS Symbol
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。
  • P305+P351+P338
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
Hazard Codes Xi
RTECSCU5620000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word Warning
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
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
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 650 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 7,178,1964

Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitro

其他信息

  • 上游原料:铜 --> 香兰素 --> 5-溴香兰素
  • MOL 文件:3934-87-0.mol
  • Sigma Aldrich:3934-87-0(sigmaaldrich)
  • 用途一:联苯双酯的中间体。
  • 方法一:用香兰醛以溴素溴化，生成5-溴香兰醛，将后者与氢氧化钠溶液在铜粉参与下反应制得该品。

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. Aldehydes - Carbonyl Compounds
  6. C8 - Aldehydes

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