Pyruvonitrile 丙酮腈

CAS 631-57-2 MFCD00001838

化学结构图

631-57-2
SMILES: CC(=O)C#N

化学属性

Mol. FormulaC3H3NO
Mol. Weight69.06
Refractive indexn20/D 1.376(lit.)
Boiling Point
Density0.974 g/mL at 25 °C(lit.)
Melting PointNo Data Available

别名和识别编码

Chemical NamePyruvonitrile
Synonym 2-Oxopropanenitrile 2-Oxopropionitrile 2-oxo-propionitrile 2-oxopropiononitrile 2-氧代丙腈 2-氧代丙腈 乙酰氰 Acetylcyanid Brenztraubensäurenitril Oxypropionitrile Propanenitrile, 2-oxo- Pyruvic acid nitrile Pyruvonitrile Pyruvonitrile (>90%) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number631-57-2
PubChem Substance ID69430
Beilstein Registry Number1737633
MDL NumberMFCD00001838
Chemical Name Translation丙酮腈
LabNetwork Molecule IDLN01808452
InChIInChI=1S/C3H3NO/c1-3(5)2-4/h1H3
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分类

  • {uni_hamburg} no charge; ketone; 1fragment
  • Building Blocks, C1 to C5, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks
  • {SNA} Building Blocks, C1 to C5, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks
  • {SA} Building Blocks, C1 to C5, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Beil. 3 ,IV,1515
  • Corp MSDS 1 (2), 3018:B / FT-IR 2 (1), 1456:B / FT-IR 1 (1), 862:A / FT-NMR 1 (1), 1385:B / RegBook 1 (1), 1009:F / Structure Index 1 , 157:C:6 / Vapor Phase 3 , 816:C
  • Short: II/14a Title: Molecular Constants: Diamagnetic Molecules Author: Demaison, J.; Dubrulle, A.; Hüttner, W.; Tiemann, E. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: II/14a Page: 1-788 Year: 1982 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-11365-7 ISBN: 978-3-540-11365-2 Internet Resource: DOI:10.1007/b19966 RefComment: 196 figs., XI
  • Short: II/25C Title: Structure Data Of Free Polyatomic Molecules: Molecules containing Three or Four Carbon Atoms Author: Graner, G.; Hirota, E.; Iijima, T.; Kuchitsu, K.; Ramsay, D.A.; Vogt, J.; Vogt, N. Editor: Kuchitsu, K. Source: Landolt-Börnstein, New Series Volume: II/25C Year: 2001 Keyword: Free Polyatomic Molecules; Carbon Atoms; Molecules ISBN: 3-540-66774-1 ISBN: 978-3-540-66774-2 Internet Resource: DOI:10.1007/b71431 RefComment: VIII, 481 pages. Hardcover Abstract: This volume contains data on the geometric parameters (internuclear distances, bond angles, dihedral angles of internal rotation etc.) of free polyatomic molecules including free radicals and molecular ions. This survey on structure data is made of four subvolume, each containing the geometric parameters determined in the gas phase either by an analysis of the rotational constants (and sometimes the vibrational constants) obtained from microwave, infrared, Raman, electronic and photoelectron spectroscopy or by an analysis of electron diffraction intensities. Most of the structures listed in the tables are for molecules in the electronic ground state, but structures for electronically excited states have also been included as far as they are available. In this third subvolume, the structure of mol

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H331 Toxic if inhaled 吸入中毒
  • H301 Toxic if swallowed 吞食有毒
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H301+H331
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes F,T,N
Precautionary statements
  • P301+P310
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P301+P310+P330
  • P304+P340+P312
  • P403+P233
  • P370+P378
Signal word Danger
Safety Statements
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
  • 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）；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
Risk Statements
  • R11 Highly flammable 非常易燃
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R23/25 Toxic by inhalation and if swallowed 吸入及吞食都有毒
  • R51/53
Storage condition +4°C 4 4℃

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. Cyanides/Nitriles - Nitrogen Compounds
  6. C1 to C5 - Cyanides/Nitriles

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