2-Cyanoacetamide 2-氰基乙酰胺

CAS 107-91-5 MFCD00008024

化学结构图

107-91-5
SMILES: N#CCC(N)=O

化学属性

Mol. FormulaC3H4N2O
Mol. Weight84.08
Density1.4
Melting Point119-121°C
Flash Point215°C
TSCAYes
Solubility微溶于水，溶于乙醇。
Boiling Point154.34 °C at 760 mmHg

别名和识别编码

Chemical NameCyanoacetamide
CAS Number107-91-5
Alfabeta NameCYANOACETAMIDE 2-
MDL NumberMFCD00008024
EC Number203-531-8
Beilstein Registry Number878221
Synonym 2-Cyanoacetamide {LY} 2-Cyanoacetamide 2-cyanoacetamide cyanoacetamide {} {LY} 2-Cyanoacetamide {} {} {LY} 2-Cyanoacetamide {} {} {} {LY} 2-Cyanoacetamide {} {} {} {} {LY} 2-Cyanoacetamide {} {} {} {} {} {LY} 2-Cyanoacetamide {} {} {} {} {} {} {LY} 2-Cyanoacetamide {} {} {} {} {} {} {} {LY} 2-Cyanoacetamide {} {} {} {} {} {} {} {} {LY} 2-Cyanoacetamide {} {} {} {} {} {} {} {} {} {LY} 2-Cyanoacetamide {} {} {} {} {} {} {} {} {} {} {LY} 2-Cyanoacetamide {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Cyanoacetamide {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Cyanoacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Cyanoacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Cyanoacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Cyanoacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Cyanoacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Cyanoacetami
PubChem Substance ID7898
Merck Number2688
Chemical Name Translation2-氰基乙酰胺
Reaxys-RN878221
Wiswesser Line NotationZV1CN
LabNetwork Molecule IDLN00175841
InChIInChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)
Canonical SMILESO=C(N)CC#N
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分类

  • {SA} Amides, Amines, Amides and Derivatives, Analytical Reagents, Analytical/Chromatography, Building Blocks, C2 to C7, Carbonyl Compounds, Chemical Synthesis, Derivatization Reagents, Derivatization Reagents HPLC, Fluorescence, Organic Building Blocks
  • {SNA} Amides, Building Blocks,
  • {SNA} Amides,
  • {SNA} Amides, Amines, Amides and Derivatives, Building Blocks, C2 to C7, Carbonyl Compounds, Chemical Synthesis, Derivatization Reagents, Derivatization Reagents HPLC, Fluorescence, Organic Building Blocks, 分析/色谱, 分析试剂

产品应用

  • 用于有机合成，制丙二腈、染料及电镀液中间体。

相关文献及参考

  • Merck:14,2688 Beilstein:2,589
  • Short: I
  • Short: III/20a
  • Short: IV/1a
  • Short: III/10a
  • Merck:14,2688

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany2
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • 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；
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后，立即用大量…（由生产厂家指定）冲洗；
  • S37 Wear suitable gloves 戴适当手套；
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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。
  • P301+P312
  • P301+P312+P330
  • P301+P317
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • 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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSAB5950000
Hazard Codes 6.1 Xn
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
UN Number 3439 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1680 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KHZDAN Khigiena i Zdraveopazvane.  Hygiene and Sanitation.  (Hemus, Blvd.
   Russki 6, Sofia, Bulgaria) V.9-    1966-  Volume(issue)/page/year: 9,50,1966

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

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 1155 mg/kg
TOXIC EFFECTS :
   Behavioral - tremor
   Behavioral - muscle contraction or spasticity
   Gastrointestinal - nausea or vomiting
REFERENCE :
   MELAAD Medicina del Lavoro.  Industrial Medicine.  (Via S. Barnaba, 8, 20122
   Milan, Italy) V.16-    1925-  Volume(issue)/page/year: 47,192,1956

其他信息

  • TCI Shanghai:2-氰基乙酰胺 2-Cyanoacetamide,>;98.0%(T)(107-91-5)
  • 氰乙酰胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010223 氰基乙酰胺 100g 150元 2011/04/16 C0437 2-氰基乙酰胺 2-Cyanoacetamide 500G 603元 2011/04/16 C0437 2-氰基乙酰胺 2-Cyanoacetamide 25G 139元
  • Alfa Aesar:氰乙酰胺,99% Cyanoacetamide, 99%(107-91-5)
  • 下游产品:丙二腈 --> 2-甲基-4-羧基吡啶 --> 丁螺环酮 --> 米力农 --> 2,2-二溴-3-次氮基丙酰胺 --> 6-甲基-1H-吡唑并[3,4-B]吡啶-3-胺 --> 2-氯-6-甲基吡啶-4-羰酰氯 --> 2-羟基-6-三氟甲基烟酸 --> 2,6-二氯-3-羟基吡啶-4-羧酸 --> 4-氨基嘧啶-5-羧酰胺 --> 3-氰基-6-甲基-2(1H)-吡啶酮 --> 乙基2-氯-3-氰-6-甲基吡啶-4-羧化物 --> 2-氯-6-甲基吡啶-4-羧酸 --> 2-氯-6-甲基-3-吡啶甲腈 --> 5-溴-2-氯-4,6-二甲基尼古丁腈 --> 2,4,6-三氨基嘧啶 --> 别嘌醇 --> 4,6-二甲基-3-氨基吡唑并[3,4-B]吡啶 --> 1,4,6-三甲基-3-氨基吡唑并[3,4-B]吡啶 --> 2-氯-3-氰基-4,6-二甲基吡啶 --> 恩他卡朋 --> 分散黄H-4GL --> 2-氨基-6-甲基-4,5,6,7-四氢-1-苯并噻吩-3-甲酰胺 --> 3-氰基-4,6-二甲基-2-羟基吡啶 --> 2,4-二氰基-3-甲基戊二酰胺 --> 奥普力农
  • 用途二:用机合成原料，用于合成丙二腈和电镀液，还用于药物氨苯喋啶、氨蝶呤的合成。
  • 图谱信息:氰乙酰胺(107-91-5)红外图谱(IR1) 氰乙酰胺(107-91-5)红外图谱(IR2) 氰乙酰胺(107-91-5)质谱(MS) 氰乙酰胺(107-91-5)核磁图( 13 CNMR) 氰乙酰胺(107-91-5)核磁图( 1 HNMR)
  • MOL 文件:107-91-5.mol
  • 海关编码:29269095
  • 外观性质:白色或黄色针状结晶或粉末。
  • Acros Organics:2-氰基乙酰胺 2-Cyanoacetamide, 99%(107-91-5)
  • 方法一:可由氰乙酸乙酯与氨作用制得。将氰乙酸乙酯冷却至200℃以下，加入浓氨水进行反应，得混合物由浊变清，在冷水中冷却20分钟后析出沉淀，经过滤、甩干后得粗品，然后将氰乙酰胺粗品加入沸腾的乙醇中，待其溶解后，再加入少量活性炭脱色精制，过滤，滤液冷却析出沉淀，经甩干后于80-100℃下干燥制得氰乙酰胺精品。
  • 防护措施:本品毒性较低，小白鼠灌胃的LD50为3200mg/kg。
  • Sigma Aldrich:107-91-5(sigmaaldrich)
  • MSDS 信息:氰基乙酰胺(107-91-5).msds
  • 微溶于水，易溶于乙醇。
  • 常规方法:试剂级用玻璃瓶装，每瓶25g，应密封贮存。
  • 上游原料:乙酸乙酯 --> 氰乙酸乙酯 --> 氰乙酸甲酯
  • 用途一:用作医药、染料及电镀液中间体

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. Nitrogen Compounds 氮化合物
  5. Isocyanates - 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. Carbonyl Compounds 羰基化合物
  5. Amides - 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. Aldehydes
  6. C9
  1. Analytical & Chromatography 分析化学与色谱
  2. HPLC
  3. Derivatization Reagents
  4. Fluorescence
  5. Aldehydes
  1. Analytical & Chromatography 分析化学与色谱
  2. Derivatization Reagents
  3. Derivatization Reagents HPLC
  4. Fluorescence
  5. Aldehydes
  1. Acyl halide
  1. Acyl halide

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