1-Methylpyridin-2(1H)-one 1-甲基-2-吡啶酮

CAS 694-85-9 MFCD00006520

化学结构图

694-85-9
SMILES: Cn1ccccc1=O

化学属性

Mol. FormulaC6H7NO
Mol. Weight109.13
Boiling Point250°C at 760 mmHg
Density1.112
Melting Point30-32°C
Refractive index1.5670 to 1.5710
Flash Point>110°(230°F)
TSCAYes
Appearance 白色结晶体。熔点30-32℃，沸点250℃（98.7kPa）。溶于乙醇、乙醚、丙酮，微溶于水。

别名和识别编码

Chemical Name1-Methylpyridin-2(1H)-one
Synonym 1-Methylpyridin-2(1H)-one {LY} 1-Methylpyridin-2(1H)-one N-methyl-2-pyridone {} {LY} 1-Methylpyridin-2(1H)-one {} {} {LY} 1-Methylpyridin-2(1H)-one {} {} {} {LY} 1-Methylpyridin-2(1H)-one {} {} {} {} {LY} 1-Methylpyridin-2(1H)-one {} {} {} {} {} {LY} 1-Methylpyridin-2(1H)-one {} {} {} {} {} {} {} {LY} 1-Methylpyridin-2(1H)-one {} {} {} {} {} {} {} {} {LY} 1-Methylpyridin-2(1H)-one {} {} {} {} {} {} {} {} {} {LY} 1-Methylpyridin-2(1H)-one {} {} {} {} {} {} {} {} {} {} {LY} 1-Methylpyridin-2(1H)-one {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methylpyridin-2(1H)-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methylpyridin-2(1H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methylpyridin-2(1H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methylpyridin-2(1H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methylpyridin-2(1H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methylpyridin-2(1H)-one {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00006520
CAS Number694-85-9
PubChem Substance ID12755
EC Number211-777-2
Beilstein Registry Number21,268
Reaxys-RN107805
Chemical Name Translation1-甲基-2-吡啶酮
InChIKeyDVVGIUUJYPYENY-UHFFFAOYSA-N
LabNetwork Molecule IDLN00239337
InChIInChI=1S/C6H7NO/c1-7-5-3-2-4-6(7)8/h2-5H,1H3
Canonical SMILESO=C1C=CC=CN1C
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; 6RingOnly; 6ring; amide; lactame; 1fragment
  • {SNA} Building Blocks, C6, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines

相关文献及参考

  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • Short: III/35D3 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 3: Heterocycles Author: Gupta, R.R.; Jain, M.; Lechner, M.D.; Mikhova, B.M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D3 Year: 2007 Keyword: C-13; NMR; carbon-13; chemical shifts; coupling constants; heterocycles; nuclear magnetic resonance ISBN: 978-3-540-29731-4 ISBN: 3-540-29731-6 Internet Resource: DOI: 10.1007/978-3-540-47067-0 RefComment: VIII, 342 p., 1 illus., Hardcover RefComment: Written for Science

安全信息

GHS Symbol
WGK Germany3
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 Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSUV1148100
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.....
Signal word
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
  • R22 Harmful if swallowed 吞咽有害
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/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；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • 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；
Hazard Codes Xn Xi Xi,Xn 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Bird - quail
DOSE/DURATION           : 421 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JRPFA4 Journal of Reproduction and Fertility.  (Biochemical Soc. Book Depot,
   POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK)  V.1-    1960-
   Volume(issue)/page/year: 48,371,1976

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 1-甲基-2-吡啶酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0412 1-甲基-2-吡啶酮 1-Methyl-2-pyridone 25G 911元 2014/06/02 M0412 1-甲基-2-吡啶酮 1-Methyl-2-pyridone 10G 521元 2010/06/21 127580250 1-甲基-2-吡啶酮 1-Methyl-2-pyridone 99+% 25 GR 1131元
  • Acros Organics:1-甲基-2-吡啶酮 1-Methyl-2-pyridone, 99+%(694-85-9)
  • MSDS 信息:1-Methyl-2-pyridone(694-85-9).msds
  • 下游产品:
  • 用途一:用于有机合成。
  • Alfa Aesar:1-甲基-2-吡啶酮,99+% 1-Methyl-2-pyridone, 99+%(694-85-9)
  • F:10-21
  • MOL 文件:694-85-9.mol
  • TCI Shanghai:1-甲基-2-吡啶酮 1-Methyl-2-pyridone,>;99.0%(GC)(694-85-9)
  • 方法一:将吡啶与硫酸二甲酯反应成盐，加入铁氰化钾溶液和氢氧化钠溶液，加料温度不超过10℃，放置5h，温度升至室温。在搅拌下加入无水碳酸钠，使1-甲基-2-吡啶酮从反应混合物中盐析出来。将析出的油层分离，以65-70%的收率得到成品。
  • 上游原料:碳酸钠 --> 二甲酯 --> 赤血盐
  • Sigma Aldrich:694-85-9(sigmaaldrich)
  • 图谱信息:1-甲基-2-吡啶酮(694-85-9)质谱(MS) 1-甲基-2-吡啶酮(694-85-9)核磁图( 13 CNMR) 1-甲基-2-吡啶酮(694-85-9)核磁图( 1 HNMR) 1-甲基-2-吡啶酮(694-85-9)红外图谱(IR1)

系列性分类

  1. C6 - Pyridines
  1. C6 to C7 - Pyridines
  1. C5

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