Ethyl Nitroacetate 硝基乙酸乙酯

CAS 626-35-7 MFCD00007403

化学结构图

626-35-7
SMILES: CCOC(=O)C[N+](=O)[O-]

化学属性

Mol. FormulaC4H7NO4
Mol. Weight133.10
Boiling Point105-107 °C at 25 mmHg
TSCAT
Density1.199
Refractive index1.4220 to 1.4260
Flash Point92°C(lit.)

别名和识别编码

Chemical NameEthyl Nitroacetate
CAS Number626-35-7
Alfabeta NameETHYLNITROACETATE
MDL NumberMFCD00007403
Synonym Ethyl nitroacetate {LY} Ethyl nitroacetate {} {LY} Ethyl nitroacetate {} {} {LY} Ethyl nitroacetate {} {} {} {LY} Ethyl nitroacetate {} {} {} {} {LY} Ethyl nitroacetate {} {} {} {} {} {LY} Ethyl nitroacetate {} {} {} {} {} {} {LY} Ethyl nitroacetate {} {} {} {} {} {} {} {LY} Ethyl nitroacetate {} {} {} {} {} {} {} {} {LY} Ethyl nitroacetate {} {} {} {} {} {} {} {} {} {LY} Ethyl nitroacetate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl nitroacetate {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl nitroacetate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl nitroacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl nitroacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl nitroacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl nitroacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl nitroacetate
Beilstein Registry Number2(4)537
PubChem Substance ID87573969
EC Number210-944-7
Reaxys-RN1210027
Chemical Name Translation硝基乙酸乙酯
InChIKeyFTKASJMIPSSXBP-UHFFFAOYSA-N
LabNetwork Molecule IDLN00010563
InChIInChI=1S/C4H7NO4/c1-2-9-4(6)3-5(7)8/h2-3H2,1H3
Canonical SMILESO=C(OCC)C[N+]([O-])=O
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分类

  • {uni_hamburg} no charge; ester; 1fragment
  • Building Blocks, C2 to C5, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {SNA} Building Blocks, C2 to C5, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

产品应用

  • Ethyl Nitroacetate is an ester of nitrocarboxylic acid used as an intermediate in the preparation of unsubstituted amino acids.

相关文献及参考

  • Similarly, reaction with ɑ-bromo enones gives 5-acyl-3-(ethoxycarbonyl)-2-isoxazoline-2-oxides by a tandem conjugate addition - ring closure: J. Org. Chem., 60, 6624 (1995).
  • Conjugate addition to various enones, followed by reductive cyclization with Formamidinesulfinic acid, A11885, provides a convenient new route to pyrroles: Tetrahedron Lett., 36, 9469 (1995). For examples with reaction schemes, see 2-Benzyl­idenecyclohexanone, L13434 and 3-Penten-2-one, L13031.
  • Short: III/38B
  • Beilstein:2(4)537
  • Reacts with 2,3-epoxyaldehydes to give 3-ethoxycarbonyl-4-hydroxy-5-(1-hydroxyalkyl)-2-isoxazoline-2-oxides: J. Org. Chem., 55, 781 (1990):
  • In the presence of the Mitsunobu reagent (PPh3/DEAD) oxidizes alcohols to carbonyl compounds: Tetrahedron Lett., 22, 2295 (1981).
  • For a review of the use of nitroacetic acid and its esters in organic synthesis, see: Synthesis, 666 (1979).
  • Sidorin, G.I.: Gig. Aspe. Okhr. Zdor. Nasel., 144 (1977);

安全信息

Warnings IRRITANT, KEEP COLD
WGK Germany2
RTECSAJ1074000
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Signal word
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338+P337+P313
  • P332+P313
  • P337+P313
  • 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
Risk Statements
  • R38 Irritating to skin 刺激皮肤
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
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;
  • S37 Wear suitable gloves 戴适当手套;
Hazard Codes
Storage condition 2-8°C {LY} 2-8°C Keep Cold Store at room temperature {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C
GHS Symbol
Packing GroupIII
UN Number
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 5250 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Lungs, Thorax, or Respiration - acute pulmonary edema
   Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 24(7),49,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1400 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Lungs, Thorax, or Respiration - acute pulmonary edema
   Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 24(7),49,1980

TYPE OF TEST            : LC - Lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : >728 mg/m3/2H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 24(7),49,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitonea

其他信息

  • 下游产品:间氟-DL-酪氨酸 --> 5-硝基-4-羟基嘧啶
  • TCI Shanghai:硝基乙酸乙酯 Ethyl Nitroacetate,>;95.0%(GC)(626-35-7)
  • 硝基乙酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 N0657 硝基乙酸乙酯 Ethyl Nitroacetate 5G 540元 2014/06/02 N0657 硝基乙酸乙酯 Ethyl Nitroacetate 25G 1680元 2010/06/21 185170250 硝基乙酸乙酯 Ethyl nitroacetate 98% 25 GR 2592元
  • Sigma Aldrich:626-35-7(sigmaaldrich)
  • Alfa Aesar:硝基乙酸乙酯,97% Ethyl nitroacetate, 97%(626-35-7)
  • TSCA:T
  • Acros Organics:硝基乙酸乙酯 Ethyl nitroacetate, 98%(626-35-7)
  • Hazard Note:Irritant
  • MOL 文件:626-35-7.mol
  • MSDS 信息:Ethyl nitroacetate(626-35-7).msds
  • 图谱信息:硝基乙酸乙酯(626-35-7)核磁图( 1 HNMR) 硝基乙酸乙酯(626-35-7)核磁图( 13 CNMR) 硝基乙酸乙酯(626-35-7)质谱(MS) 硝基乙酸乙酯(626-35-7)红外图谱(IR1)
  • 外观性质:淡黄色透明液体。折光率n20/D:1.424沸点:105-107 °C/25 mmHg密度:1.199闪点:92 °C
  • 海关编码:29159080

系列性分类


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