4-Nitrophenyl acetate 4-硝基苯基乙酸酯

CAS 830-03-5 MFCD00007326

化学结构图

830-03-5
SMILES: CC(=O)Oc1ccc([N+](=O)[O-])cc1

化学属性

Mol. FormulaC8H7NO4
Mol. Weight181.15
Melting Point75-77 °C
TSCAYes
Boiling Point314.24 °C at 760 mmHg

别名和识别编码

Chemical Name4-Nitrophenyl acetate
Synonym 4-Nitrophenyl acetate {LY} 4-Nitrophenyl acetate {} {LY} 4-Nitrophenyl acetate {} {} {LY} 4-Nitrophenyl acetate {} {} {} {LY} 4-Nitrophenyl acetate {} {} {} {} {LY} 4-Nitrophenyl acetate {} {} {} {} {} {LY} 4-Nitrophenyl acetate {} {} {} {} {} {} {LY} 4-Nitrophenyl acetate {} {} {} {} {} {} {} {LY} 4-Nitrophenyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrophenyl acetate {} {} {} {} {} {} {} {} {} {LY} 4-Nitrophenyl acetate {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrophenyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrophenyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrophenyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrophenyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrophenyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrophenyl acetate {} {} {} {} {} {}
Beilstein Registry Number6(4)1298
PubChem Substance ID13243
CAS Number830-03-5
EC Number212-593-5
MDL NumberMFCD00007326
Reaxys-RN515874
Chemical Name Translation4-硝基苯基乙酸酯
Wiswesser Line NotationWNR DOV1
LabNetwork Molecule IDLN00195201
InChIInChI=1S/C8H7NO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3
Canonical SMILESCC(OC1=CC=C([N+]([O-])=O)C=C1)=O
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
  • {SNA} Bioactive Small Molecules,
  • Bioactive Small Molecules, Biochemicals and Reagents, Cell Biology, Chromogen, Enzyme Substrate, Fatty Acyls, Lipids, N
  • {SA} Alphabetic, Analytical Standards, Analytical/Chromatography, Bioactive Small Molecules, Building Blocks, C8 to C9, Carbonyl Compounds, Cell Biology, Chemical Synthesis, Esters, N, NA - NI, Organic Building Blocks
  • {SNA} Bioactive Small Molecules, Biochemicals and Reagents, Cell Biology, Chromogen, Enzyme

相关文献及参考

  • Short: III/35D2
  • Short: III/10a
  • Reagent for the N-acylation of amines, e.g. basic amino acids: Can. J. Chem., 43, 991 (1965); 46, 1047 (1968).

安全信息

WGK Germany3
RTECSAJ1150000
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CBCCT* "Summary Tables of Biological Tests," National Research Council
   Chemical-Biological Coordination Center.  (National Academy of Science
   Library, 2101 Constitution Ave., NW, Washington, DC 20418)
   Volume(issue)/page/year: 5,340,1953

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 180 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#00217

Hazard statements
  • H272 May intensify fire; oxidizer 可能加剧火势；氧化剂。
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H318 Causes serious eye damage 严重伤害眼睛
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P220 Keep/Store away from clothing/…/combustible materials. 保持远离/贮存远离服装/....../可燃材料。
  • P221 Take any precaution to avoid mixing with combustibles/… 采取一切防范措施，避免与可燃物混合/...
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • 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。
  • P302+P352
  • P305+P351+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P333+P313
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P370+P378
  • P501 Dispose of contents/container to..… 处理内容物/容器.....

其他信息

  • 储运特性:库房通风低温干燥
  • 毒性分级:高毒
  • Acros Organics:4-硝基苯基乙酸酯 4-Nitrophenyl acetate, 97%(830-03-5)
  • Sigma Aldrich:830-03-5(sigmaaldrich)
  • Alfa Aesar:4-硝基苯基乙酸酯,98+% 4-Nitrophenyl acetate, 98+%(830-03-5)
  • 可燃性危险特性:可燃; 加热分解释放有毒氮氧化物烟雾
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • 急性毒性:静脉-小鼠LD50: 180 毫克/公斤
  • MOL 文件:830-03-5.mol
  • 图谱信息:4-硝基苯基乙酸酯(830-03-5)核磁图( 1 HNMR) 4-硝基苯基乙酸酯(830-03-5)核磁图( 13 CNMR) 4-硝基苯基乙酸酯(830-03-5)质谱(MS) 4-硝基苯基乙酸酯(830-03-5)Raman光谱 4-硝基苯基乙酸酯(830-03-5)红外图谱(IR2) 4-硝基苯基乙酸酯(830-03-5)红外图谱(IR1)
  • 类别:有毒物品
  • TCI Shanghai:乙酸-4-硝基苯酯 4-Nitrophenyl Acetate,>;98.0%(GC)(T)(830-03-5)
  • 4-硝基苯基乙酸酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0040 乙酸-4-硝基苯酯 4-Nitrophenyl Acetate 25G 370元 2014/06/02 A0040 乙酸-4-硝基苯酯 4-Nitrophenyl Acetate 500G 3280元 2010/06/21 128750050 4-硝基苯基乙酸酯 4-Nitrophenyl acetate 97% 5 GR 420元

系列性分类

  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Enzymes, Inhibitors, and Substrates - Biochemicals and Reagents
  4. Enzyme Substrates - Enzymes, Inhibitors, and Substrates
  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. Esters - Carbonyl Compounds
  6. C8 to C9 - Esters
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. N - Alphabetic
  5. NA - NI - N
  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Lipids - Biochemicals and Reagents
  4. Fatty Acyls - Lipids
  5. Enzyme Substrate - Fatty Acyls
  6. Chromogen - Enzyme Substrate
  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Lipids - Biochemicals and Reagents
  4. Fatty Acyls - Lipids
  5. Enzyme Substrate - Fatty Acyls
  6. Chromogen - Enzyme Substrate
  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. Esters
  6. C6 to C7
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Lipids
  4. Fatty Acids
  5. Enzyme Substrate

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