2-Chloro-4,6-Dinitrophenol 2-氯-4,6-二硝基苯酚

CAS 946-31-6 MFCD00024234

化学结构图

946-31-6
SMILES: O=[N+]([O-])c1cc(Cl)c(O)c([N+](=O)[O-])c1

化学属性

Mol. FormulaC6H3ClN2O5
Mol. Weight218.55
Melting Point110-114 °C
Appearance 黄色结晶。熔点109-110℃。

别名和识别编码

Chemical Name2-Chloro-4,6-Dinitrophenol
MDL NumberMFCD00024234
PubChem Substance ID13681
CAS Number946-31-6
EC Number213-419-0
Chemical Name Translation2-氯-4,6-二硝基苯酚
Synonym 2-Chloro-4,6-dinitrophenol {LY} 2-Chloro-4,6-dinitrophenol {} {LY} 2-Chloro-4,6-dinitrophenol {} {} {LY} 2-Chloro-4,6-dinitrophenol {} {} {} {LY} 2-Chloro-4,6-dinitrophenol {} {} {} {} {LY} 2-Chloro-4,6-dinitrophenol {} {} {} {} {} {LY} 2-Chloro-4,6-dinitrophenol {} {} {} {} {} {} {LY} 2-Chloro-4,6-dinitrophenol {} {} {} {} {} {} {} {LY} 2-Chloro-4,6-dinitrophenol {} {} {} {} {} {} {} {} {LY} 2-Chloro-4,6-dinitrophenol {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-4,6-dinitrophenol {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-4,6-dinitrophenol {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-4,6-dinitrophenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-4,6-dinitrophenol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-4,6-dinitrophenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-4,6-dinitrophenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-4,6-dinitro
InChIKeyPCBCIXWBAPIVDV-UHFFFAOYSA-N
Wiswesser Line NotationWNR BQ CG ENW
Beilstein Registry Number1980567
LabNetwork Molecule IDLN00201607
InChIInChI=1S/C6H3ClN2O5/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14/h1-2,10H
Canonical SMILESC1=C(C=C(C(=C1Cl)O)[N+](=O)[O-])[N+](=O)[O-]
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分类

  • {SNA} Building Blocks, C6 to C8, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols
  • Building Blocks, C6 to C8, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols

相关文献及参考

  • Beil. 6 ,259
  • IR-Spectra (3), 833:A / IR-Spectra (2), 729:G / Sax 6 , 709

安全信息

WGK Germany2
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
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
Hazard Codes Xi
RTECSSK4200000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
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
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCNSA6 National Academy of Sciences, National Research Council,
   Chemical-Biological Coordination Center, Review.  (Washington, DC)
   Volume(issue)/page/year: 5,34,1953

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 125 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD277-689

Storage condition

其他信息

  • Sigma Aldrich:946-31-6(sigmaaldrich)
  • MOL 文件:946-31-6.mol

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. Oxygen Compounds 氧化合物
  5. Phenols 酚类
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Phenols 酚类
  6. C6 to C8 - Phenols
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Protected Alcohols/Phenols - Oxygen Compounds

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