Ethoxymethylenemalononitrile 乙氧基亚甲基丙二腈

CAS 123-06-8 MFCD00001854

化学结构图

123-06-8
SMILES: CCOC=C(C#N)C#N

化学属性

Mol. FormulaC6H6N2O
Mol. Weight122.12
Density1.422
Boiling Point160°C at 760 mmHg
Melting Point64-66°C
Flash Point155°(311°F)
TSCAYes
Solubility不溶
Appearance 黄色或淡黄色结晶粉末，熔点63-69℃，沸点160℃，闪点155℃

别名和识别编码

Chemical NameEthoxymethylenemalononitrile
CAS Number123-06-8
Alfabeta NameETHOXYMETHYLENEMALONONITRILE
MDL NumberMFCD00001854
Synonym Ethoxymethylenemalononitrile {LY} Ethoxymethylenemalononitrile {} {LY} Ethoxymethylenemalononitrile {} {} {LY} Ethoxymethylenemalononitrile {} {} {} {LY} Ethoxymethylenemalononitrile {} {} {} {} {LY} Ethoxymethylenemalononitrile {} {} {} {} {} {LY} Ethoxymethylenemalononitrile {} {} {} {} {} {} {LY} Ethoxymethylenemalononitrile {} {} {} {} {} {} {} {LY} Ethoxymethylenemalononitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethoxymethylenemalononitrile {} {} {} {} {} {} {} {} {} {LY} Ethoxymethylenemalononitrile {} {} {} {} {} {} {} {} {} {} {LY} Ethoxymethylenemalononitrile {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Ethoxymethylenemalononitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethoxymethylenemalononitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethoxymethylenemalononitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethoxymethylenemalononitrile {} {} {} {} {} {} {} {
EC Number204-597-0
Beilstein Registry Number3(4)1194
PubChem Substance ID67152
Reaxys-RN741985
Chemical Name Translation乙氧基亚甲基丙二腈
Wiswesser Line NotationNCYCN&1O2
InChIKeyOEICGMPRFOJHKO-UHFFFAOYSA-N
LabNetwork Molecule IDLN00174053
InChIInChI=1S/C6H6N2O/c1-2-9-5-6(3-7)4-8/h5H,2H2,1H3
Canonical SMILESCCO/C=C(C#N)\C#N
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分类

  • Intermediates
  • {SNA} Building Blocks, C6 to C7, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Has also been used in the synthesis of ortho-amino benzonitrile derivatives by cyclization with active methylene compounds: Monatsh. Chem., 120, 891 (1989).
  • Useful building block in the synthesis of a variety of heterocyclic molecules. For reaction with nitroacetonitrile in a high-yield synthesis of 6-amino-3-cyano-5-nitro-2-pyridone, see: Synthesis, 835 (1991). With ethyl mercaptoacetate, 3-amino-4-cyanothiophene-2-carboxylate is formed in high yield: Synthesis, 1056 (1982). With thiouronium salts, 2-alkylthio-4-amino-5-cyanopyrimidines are obtained: Helv. Chim. Acta, 81, 646 (1998).

安全信息

Warnings IRRITANT
Signal word Danger
GHS Symbol
WGK Germany3
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • 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；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R42/43
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有毒
  • R24/25 Toxic in contact with skin and if swallowed 皮肤接触及吞食都有毒
Precautionary statements
  • P285 In case of inadequate ventilation wear respiratory protection. 在通风不足的情况下，戴呼吸防护。
  • P301+P310+P330
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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
  • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医，如果你觉得不舒服
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P405 Store locked up. 上锁保管。
  • P342+P311
  • P302+P352+P333+P313+P362+P364
Hazard statements
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H302 Harmful if swallowed 吞食有害
  • H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难
  • H301 Toxic if swallowed 吞食有毒
RTECSOO3850000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Packing GroupIII
UN Number 3439 UN3439
Hazard Codes Xn T;Xn Xn,T
Hazard Class6.1 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 50 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 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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • Acros Organics:乙氧基亚甲基丙二腈 Ethoxymethylenemalononitrile, 98%(123-06-8)
  • Alfa Aesar:乙氧基亚甲基丙二腈,98% Ethoxymethylenemalononitrile, 98%(123-06-8)
  • 乙氧基亚甲基丙二腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 E0649 (乙氧基亚甲基)丙二腈 (Ethoxymethylene)malononitrile 25G 526元 2010/06/21 117921000 乙氧基亚甲基丙二腈 Ethoxymethylenemalononitrile 98% 100 GR 1178元 2010/06/21 117920050 乙氧基亚甲基丙二腈 Ethoxymethylenemalononitrile 98% 5 GR 178元
  • MSDS 信息:Ethoxymethylenemalononitrile(123-06-8).msds
  • F:21
  • 下游产品:4-氨基-2-氯嘧啶-5-腈 --> 2-三氟甲基-4-氨基嘧啶-5-醛 --> 5-氨甲基-2-三氟甲基嘧啶-4-胺 --> 2-甲基-4-氨基-5-氨基甲基嘧啶 --> 2-三氟甲基-4-氨基嘧啶-5-羧酸 --> 2-甲基-4-氨基嘧啶-5-羧酸 --> 2-三氟甲基-4-氨基嘧啶-5-腈 --> 2-巯基-4-氨基嘧啶-5-腈 --> 2-甲基-4-氨基嘧啶-5-腈
  • MOL 文件:123-06-8.mol
  • Sigma Aldrich:123-06-8(sigmaaldrich)
  • 检测方法:GC,NMR
  • 图谱信息:乙氧基亚甲基丙二腈(123-06-8)红外图谱(IR2) 乙氧基亚甲基丙二腈(123-06-8)红外图谱(IR1)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles - Nitrogen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles - Nitrogen Compounds
  6. C6 to C7 - Cyanides/Nitriles
  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. Hydrazides - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles
  6. C10 to C27
  1. Functional Group 官能团索引
  2. enol ether