Diacetyl Monoxime 联乙酰一肟

CAS 57-71-6 MFCD00002116

化学结构图

57-71-6
SMILES: CC(=O)C(C)=NO

化学属性

Mol. FormulaC4H7NO2
Mol. Weight101.10
Boiling Point185-186 °C at 760 mmHg
Melting Point75-78 °C
TSCAYes
Solubility5 G/100 ML (20 ºC)
Density1.07
Flash Point185-186°C
Appearance 白色至淡黄色结晶粉末。熔点74℃（76℃），沸点185-186℃。微溶于水，易溶于乙醇、乙醚和氯仿。

别名和识别编码

Chemical NameDiacetyl Monoxime
Synonym Biacetyl monoxime {LY} Biacetyl monoxime KBDO butanedione monoxime diacetyl monooxime diacetyl monoxime diacetylmonoxime potassium 2,3-butanedione monoximate {} {LY} Biacetyl monoxime {} {} {LY} Biacetyl monoxime {} {} {} {LY} Biacetyl monoxime {} {} {} {} {LY} Biacetyl monoxime {} {} {} {} {} {LY} Biacetyl monoxime {} {} {} {} {} {} {LY} Biacetyl monoxime {} {} {} {} {} {} {} {LY} Biacetyl monoxime {} {} {} {} {} {} {} {} {LY} Biacetyl monoxime {} {} {} {} {} {} {} {} {} {LY} Biacetyl monoxime {} {} {} {} {} {} {} {} {} {} {LY} Biacetyl monoxime {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Biacetyl monoxime {} {} {} {} {} {} {} {} {} {} {} {} {LY} Biacetyl monoxime {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Biacetyl monoxime {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Biacetyl monoxime {} {} {} {} {} {} {} {} {} {} {} {} {}
Beilstein Registry Number605582
PubChem Substance ID6409633
CAS Number57-71-6
EC Number200-348-5
MDL NumberMFCD00002116
Reaxys-RN605582
Chemical Name Translation联乙酰一肟
Wiswesser Line NotationQNUY1&V1
InChIKeyFSEUPUDHEBLWJY-HWKANZROSA-N
LabNetwork Molecule IDLN01745661
InChIInChI=1S/C4H7NO2/c1-3(5-7)4(2)6/h7H,1-2H3/b5-3+
Canonical SMILESC/C(C(C)=O)=N\O
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分类

  • Analytical Reagents, Analytical/Chromatography, Gravimetric Reagents, Spectroscopy, UV/Vis Reagents, UV/Visible (UV/VIS) Spectroscopy
  • {SNA} B, Bioactive Small Molecules, Cell Signaling and Neuroscience,
  • {SNA} Gravimetric Reagents, Spectroscopy, UV/Vis Reagents, UV/Visible (UV/VIS) Spectroscopy, 分析/色谱, 分析试剂
  • {SNA} B, Bioactive Small Molecule Alphabetical Index, Ion Channels, Monovalent Ion Channels, Potassium Channel Modulators, Voltage-gated Ion Channels, 生物活性小分子, 细胞信号转导和神经科学, 细胞生物学
  • {SNA} B, Ion Channels, Monovalent Ion Channels,

产品应用

  • 用作定性检查Ni2+ 和光度法测定Ni2+、Co、Pt4+ 和Pd2+等的显色剂，还用于光度法测定脲和酰脲。医药中间体。

相关文献及参考

  • Formation of the silyl enol ether (1-aza-3-siloxy-1,3-butadiene), followed by hetero Diels-Alder reaction with Dimethyl­ acetyl­enedicarboxyl­ate, A11437 affords a highly-functionalized pyridine: Tetrahedron, 62, 5454 (2006).
  • Beilstein: 1,IV,3646
  • 3. W.B. Guenther Anal. Lett. 12A , 1305, (1979)
  • 2. R.B. Singh et al. Talanta 26 , 425, (1979) 摘要
  • Reagent for colorimetric determination of urea: Anal. Biochem., 97, 421 (1979). Reagent for Co, Ni, Pd and Re: Talanta, 26, 425 (1979).

安全信息

Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
RTECSEK3150000
WGK Germany3
Storage condition 2-8°C, sealed storage, away from moisture {LY} 2-8°C, sealed storage, away from moisture Hygroscopic {} {LY} 2-8°C, sealed storage, away from moisture {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away f
Hazard Codes Xn
Safety Statements
  • 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；
  • S22 Do not breathe dust 不要吸入粉尘；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
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
  • 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
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 51 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPMSAE Journal of Pharmaceutical Sciences.  (American Pharmaceutical Assoc.,
   2215 Constitution Ave., NW, Washington, DC 20037)  V.50-    1961-
   Volume(issue)/page/year: 53,1143,1964

Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
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+P317
  • P302+P352
  • P304+P312
  • P304+P340
  • P305+P351+P338
  • 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。
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P322 Specific measures (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
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....

其他信息

  • 下游产品:二甲基乙二醛肟
  • Acros Organics:二乙酰单肟 2,3-Butanedione monoxime, 99+%(57-71-6)
  • 方法一:由甲基乙基酮与亚硝酸乙酯反应而得。在反应锅中加入甲基乙基酮、盐酸，立即通入亚硝酸乙酯气体。保持在40-55℃反应至气体通完。减压蒸去反应生成的乙醇，至90℃停止蒸馏，得丁二酮单肟。收率82-87%。
  • 微溶于水。易溶于乙醇、乙醚、丙酮和三氯甲烷。与Ni2+、Pd2+、Co2+和ReO 等形成淡黄或橙色配合物，易为三氯甲烷萃取。
  • MOL 文件:57-71-6.mol
  • Sigma Aldrich:57-71-6(sigmaaldrich)
  • 2,3-丁烷二酮一肟价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30049213 二乙酰一肟;双乙酰一肟; 丁二酮一肟; 二甲基乙二酰一肟 10g 27元 2011/04/16 B0683 二乙酰一肟 Diacetyl Monoxime 500G 3550元 2011/04/16 B0683 二乙酰一肟 Diacetyl Monoxime 25G 437元
  • 用途一:医药中间体。分析试剂。
  • 图谱信息:2,3-丁烷二酮一肟(57-71-6)红外图谱(IR1) 2,3-丁烷二酮一肟(57-71-6)核磁图( 1 HNMR) 2,3-丁烷二酮一肟(57-71-6)红外图谱(IR2) 2,3-丁烷二酮一肟(57-71-6)质谱(MS) 2,3-丁烷二酮一肟(57-71-6)核磁图( 13 CNMR)
  • TCI Shanghai:二乙酰一肟 Diacetyl Monoxime,>;98.0%(GC)(57-71-6)
  • 用途二:用作定性检查Ni2+ 和光度法测定Ni2+、Co、Pt4+ 和Pd2+等的显色剂，还用于光度法测定脲和酰脲。医药中间体。
  • 海关编码:29280090
  • 上游原料:2-丁酮 --> 亚硝酸乙酯
  • Alfa Aesar:2,3-丁烷二酮一肟,99% 2,3-Butanedione monoxime, 99%(57-71-6)
  • MSDS 信息:BDM(57-71-6).msds

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Bioactive Small Molecules - Cell Biology
  4. B - Bioactive Small Molecules
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Reagents
  3. Spectroscopy - Analytical Reagents
  4. UV/Visible (UV/VIS) Spectroscopy - 紫外/可见吸收光谱
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Reagents
  3. Spectroscopy - Analytical Reagents
  4. UV/Visible (UV/VIS) Spectroscopy - 紫外/可见吸收光谱
  5. UV/Vis Reagents - UV/Visible (UV/VIS) Spectroscopy
  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. Oximes - Nitrogen Compounds
  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Cell Signaling and Neuroscience - Cell Biology
  4. Ion Channels - Cell Signaling and Neuroscience
  5. Voltage-gated Ion Channels - Ion Channels
  6. Monovalent Ion Channels - Voltage-gated Ion Channels
  7. Potassium Channel Modulators - Monovalent Ion Channels
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Cell Signaling and Neuroscience
  4. Neuroscience
  5. Ion Channels
  6. Ligand-Gated Ion Channels
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Cell Signaling and Neuroscience
  4. Ion Channels
  5. Voltage-gated Ion Channels
  6. Monovalent Ion Channels
  7. Ionophores