Methyl Cyanoacetate 氰乙酸甲酯

CAS 105-34-0 MFCD00001939

化学结构图

105-34-0
SMILES:

化学属性

Mol. FormulaC4H5NO2
Mol. Weight99.09
Density1.123 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.417(lit.)
Boiling Point208°C at 760 mmHg
Melting Point-13°C
Flash Point86.5°C
TSCAYes
Vapor Density3.41 (vs air)
Vapor Pressure0.2 mmHg ( 20 °C)
Solubility不溶于水。与乙醇、乙醚混溶。
Stability对光敏感

别名和识别编码

Chemical NameMethyl Cyanoacetate
CAS Number105-34-0
EC Number203-288-8
Beilstein Registry Number2,584
MDL NumberMFCD00001939
PubChem Substance ID87565563
Reaxys-RN773945
Synonym Methyl 2-cyanoacetate {LY} Methyl 2-cyanoacetate {} {LY} Methyl 2-cyanoacetate {} {} {LY} Methyl 2-cyanoacetate {} {} {} {LY} Methyl 2-cyanoacetate {} {} {} {} {LY} Methyl 2-cyanoacetate {} {} {} {} {} {LY} Methyl 2-cyanoacetate {} {} {} {} {} {} {LY} Methyl 2-cyanoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-cyanoacetate {} {} {} {} {} {} {} {} {LY} Methyl 2-cyanoacetate {} {} {} {} {} {} {} {} {} {LY} Methyl 2-cyanoacetate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-cyanoacetate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-cyanoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-cyanoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-cyanoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-cyanoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-cyanoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Meth
Chemical Name Translation氰乙酸甲酯
Wiswesser Line NotationNC1VO1
LabNetwork Molecule IDLN00222057
Canonical SMILESO=C(OC)CC#N
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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
  • {Chemicalbook} 农药中间体: 除草剂中间体: 磺酰脲类除草剂

产品应用

  • 本品是医药、染料中间体，主要用于制造粘合剂、维生素B6等。

相关文献及参考

  • Beilstein:2,584
  • Short: III/20a
  • Short: III/20c

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H303 May be harmfully swallowed 吞食可能有害
Personal Protective Equipment Eyeshields, Gloves
RTECSAG4375000
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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P332+P313
  • 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
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
  • P302+P352+P332+P313+P362+P364
Signal word Warning
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；
  • S36/37/39 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；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
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
  • R36 Irritating to eyes 刺激眼睛
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Packing GroupIII
Hazard Class6.1(b)
UN Number 3276
Hazard Codes Xi 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 400 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J.,
   Prague, Czechoslovakia, Avicenum, 1986  Volume(issue)/page/year: -,920,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 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

其他信息

  • 图谱信息:氰乙酸甲酯(105-34-0)质谱(MS) 氰乙酸甲酯(105-34-0)红外图谱(IR1) 氰乙酸甲酯(105-34-0)核磁图( 1 HNMR) 氰乙酸甲酯(105-34-0)核磁图( 13 CNMR)
  • 能与乙醇、乙醚混溶，能溶与氨水及碱性溶液，不溶于水。水中溶解度:54 G/L (20°C)。
  • 蒸气密度:3.41 (vs air)
  • Hazard Note:Irritant
  • Acros Organics:氰基乙酸甲酯 Methyl cyanoacetate, 97%(105-34-0)
  • 敏感性:Light Sensitive
  • Alfa Aesar:氰基乙酸甲酯,99% Methyl cyanoacetate, 99%(105-34-0)
  • 常规方法:本品易燃有毒，采用铝桶或塑料桶密封包装，每桶200kg。贮运中要远离火源，防晒、防火。按易燃有毒危
  • Sigma Aldrich:105-34-0(sigmaaldrich)
  • 氰乙酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0442 氰乙酸甲酯 Methyl Cyanoacetate 500ML 594元 2014/06/02 C0442 氰乙酸甲酯 Methyl Cyanoacetate 25ML 160元 2010/06/21 148642500 氰乙酸甲酯 Methyl cyanoacetate 97% 250 ML 400元
  • 方法一:其制备方法与氰乙酸乙酯制备方法类似，即氰乙酸、甲醇在硫酸存在下作用而得。 NCCH 2 COOH+CH 3 OH[H 2 SO 4 ]→NCCH 2 COOCH 3 +H 2 O
  • MOL 文件:105-34-0.mol
  • 海关编码:29269095
  • {C
  • 用途一:用于有机合成、医药、染料的中间体和制备α-氰基丙烯酸酯瞬干性粘合剂
  • 蒸气压:0.2 mm Hg ( 20 °C)
  • 下游产品:氰乙酰胺 --> 丁螺环酮 --> 2,2-二溴-3-次氮基丙酰胺 --> 2-氨基-4-苯基噻吩-3-甲酸甲酯 --> 5-氨基-4-异噁唑羧酸甲酯 --> 5-氨基-3-甲基噻吩-2,4-二甲酸二甲酯 --> 溶剂红 196 --> α-氰基丙烯酸甲酯 --> 米诺地尔 --> 2-氨基-5,6-二氢-4H-环戊烯并噻吩-3-甲酸甲酯 --> 2,4-二氨基-6-氯嘧啶 --> 2-氨基噻吩-3-羧酸甲酯 --> 2,4-二氨基-6
  • 外观性质:无色至微黄色液体。
  • 用途二:氰乙酸甲酯与氰乙酸乙酯一样，也是农药的重要中间体，制备2-氨基-4，6-二甲氧基嘧啶可用以制备磺酰脲类除草剂，也是医药2-氰基丙烯酸甲酯的中间体。
  • TCI Shanghai:氰乙酸甲酯 Methyl Cyanoacetate,>;99.0%(GC)(105-34-0)
  • 下游产品:氰乙酰胺 --> 丁螺环酮 --> 2,2-二溴-3-次氮基丙酰胺 -
  • 上游原料:氰乙酸乙酯 --> 氰化钠 --
  • 方法二:1.氯乙酸与甲醇酯化法将氯乙酸和甲醇进行酯化反应，生成氯乙酸甲酯。经精馏后制得氯乙酸甲酯精制品，与氰化钠进行氰化反应制得粗品，然后经过滤、常压蒸馏、减压精馏得氰乙酸甲酯成品。2.氰乙酸与甲醇酯化法将氰乙酸、甲醇、硫酸加入反应器中，加热回流3h，降温至10℃，加碳酸钠溶液中和，在132-136℃温度和2.133kPa下蒸馏，即得氰乙酸甲酯成品。
  • 常规方法:本品易燃有毒，采用铝桶或塑料桶密封包装，每桶200kg。贮运中要远离火源，防晒、防火。按易燃有毒危险品规定贮运。
  • 用途三:该品是有机合成、医药、染料的中间体。主要用于制造粘合剂（例如医用粘合剂2-氰基丙烯酸甲酯）、维生素B6、丙二腈等。采用相似的工艺过程可制得氰乙酸乙酯、氰乙酸丁酯，主要用作粘合剂、氰基丙烯酸酯类快干胶，可用于医药或汽车零件、家用电器组装的粘接。

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. Esters - 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. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C2 to C5 - Esters
  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. 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. Carbonyl Compounds 羰基化合物
  5. Esters
  6. C12 to C63

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