2-(2,4-Dinitrophenyl)Acetic Acid 2,4-二硝基苯乙酸

CAS 643-43-6 MFCD00007227

化学结构图

643-43-6
SMILES: O=C(O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

化学属性

Mol. FormulaC8H6N2O6
Mol. Weight226.14
Melting Point169-175
TSCAYes

别名和识别编码

Chemical Name2-(2,4-Dinitrophenyl)Acetic Acid
Beilstein Registry Number1990798
PubChem Substance ID221513
CAS Number643-43-6
EC Number211-398-2
MDL NumberMFCD00007227
Reaxys-RN1990798
Synonym 2,4-Dinitrophenylacetic acid {LY} 2,4-Dinitrophenylacetic acid {} {LY} 2,4-Dinitrophenylacetic acid {} {} {LY} 2,4-Dinitrophenylacetic acid {} {} {} {LY} 2,4-Dinitrophenylacetic acid {} {} {} {} {LY} 2,4-Dinitrophenylacetic acid {} {} {} {} {} {LY} 2,4-Dinitrophenylacetic acid {} {} {} {} {} {} {LY} 2,4-Dinitrophenylacetic acid {} {} {} {} {} {} {} {LY} 2,4-Dinitrophenylacetic acid {} {} {} {} {} {} {} {} {LY} 2,4-Dinitrophenylacetic acid {} {} {} {} {} {} {} {} {} {LY} 2,4-Dinitrophenylacetic acid {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Dinitrophenylacetic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Dinitrophenylacetic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Dinitrophenylacetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Dinitrophenylacetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Dinitrophenylacetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Chemical Name Translation2,4-二硝基苯乙酸
InChIKeyGZSYUSWRSRHPNY-UHFFFAOYSA-N
LabNetwork Molecule IDLN00237801
InChIInChI=1S/C8H6N2O6/c11-8(12)3-5-1-2-6(9(13)14)4-7(5)10(15)16/h1-2,4H,3H2,(H,11,12)
Canonical SMILESO=C(O)CC1=CC=C(C=C1N(=O)=O)N(=O)=O
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分类

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

相关文献及参考

  • Beil. 9 ,IV,1691
  • FT-IR 2 (2), 2625:B / FT-IR 1 (2), 171:C / IR-Spectra (3), 948:C / NMR-Reference 2 (2), 168:B / RegBook 1 (2), 1767:E / Structure Index 1 , 282:E:4

安全信息

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。
  • P420 Store away from other materials. 远离其他材料。
  • 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
  • P220 Keep/Store away from clothing/…/combustible materials. 保持远离/贮存远离服装/....../可燃材料。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
WGK Germany3
GHS Symbol
Signal word
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
  • H272 May intensify fire; oxidizer 可能加剧火势；氧化剂。
Hazard Codes Xi
RTECSAH2230000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
UN Number
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；
  • 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
Packing GroupIII
Hazard Class5.1 
TYPE OF TEST            : LD - 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: 5,8,1953

Storage condition

其他信息

  • 下游产品:4-氨基水杨酸 --> 2,4-二硝基苯乙酸甲酯
  • Alfa Aesar:2,4-二硝基苯乙酸,98% 2,4-Dinitrophenylacetic acid, 98%(643-43-6)
  • TCI Shanghai:2,4-二硝基苯基乙酸 2,4-Dinitrophenylacetic Acid,>;95.0%(T)(643-43-6)
  • 用途一:有机合成中间体。
  • 方法一:将苯乙酸加入混酸中搅拌反应4h，然后冰析出黄色晶体2,4-二硝基苯乙酸，过滤，水洗，干燥，得成品，收率95%。
  • Sigma Aldrich:643-43-6(sigmaaldrich)
  • 图谱信息:2,4-二硝基苯乙酸 (643-43-6)红外图谱(IR1) 2,4-二硝基苯乙酸 (643-43-6)质谱(MS) 2,4-二硝基苯乙酸 (643-43-6)红外图谱(IR2)
  • Hazard Note:Irritant
  • MOL 文件:643-43-6.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. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  6. C8 - Carboxylic Acids

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