3-Picoline-N-Oxide 3-甲基吡啶-N-氧化物
CAS 1003-73-2 MFCD00006203
化学结构图
SMILES: Cc1ccc[n+]([O-])c1
化学属性
| Mol. Formula | C6H7NO |
|---|---|
| Mol. Weight | 109.13 g/mol |
| Boiling Point | 150°C/15mmHg(lit.) |
| Melting Point | 37.0 to 41.0 deg-C |
| Density | 1.13 |
| Flash Point | 155°(311°F) |
| TSCA | Yes |
| Solubility | 可溶 |
| Appearance | 淡黄色粉末状晶体，熔点 38-40 ℃ ，沸点 150 ℃ (15 mmHg)，闪点 143 ℃ ，不溶于水。 |
| Stability | 易吸湿 |
别名和识别编码
| Chemical Name | 3-Picoline-N-Oxide |
|---|---|
| CAS Number | 1003-73-2 |
| Synonym | 3-METHYLPYRIDINE 1-OXIDE 3-METHYLPYRIDINE N-OXIDE 3-Methyl-pyridine 1-oxide 3-Methylpyridin-N-oxid 3-Methylpyridine 1-Oxide 3-Methylpyridine N-Oxide {uni_hamburg} 3-methylpyridine-N-oxide 3-picoline-oxide 3-甲基吡啶-N-氧化物 3-甲基吡啶氧化物 ?-Picoline 1-Oxide ?-Picoline N-Oxide {} {uni_hamburg} 3-methylpyridine-1-oxide {} {} {uni_hamburg} 3-methylpyridine 1-oxide {} {} {} {uni_hamburg} 3-methyl-pyridine-1-oxide {} {} {} {} { {} {} {} {} {Chemicalbook} 3-methyl-pyridin1-oxide {} {} {} {} {} {uni_hamburg} 3-Picoline-N-oxide {} {} {} {} {} {} {uni_hamburg} 3-Picoline, 1-oxide {} {} {} {} {} {} {} {uni_hamburg} 3-Picoline N-oxide {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {TRC} 3-Picoline N-Oxide {} {} {} {} {} {} {} {} {} {uni_hamburg} 3-Picoline 1-oxide {} {} {} {} {} {} {} {} {} {} {uni_hamburg} 3-Picolin-N-oxid {} {} {} {} {} {} |
| MDL Number | MFCD00006203 |
| PubChem Substance ID | 13858 |
| Beilstein Registry Number | 106327 |
| EC Number | 213-714-4 |
| Reaxys-RN | 106327 |
| Chemical Name Translation | 3-甲基吡啶-N-氧化物 |
| Wiswesser Line Notation | T6NJ AO C1 |
| InChIKey | DMGGLIWGZFZLIY-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN00222978 |
| InChI | InChI=1S/C6H7NO/c1-6-3-2-4-7(8)5-6/h2-5H,1H3 |
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分类
- {SNA} Building Blocks, C6, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines
- Heterocycles
- {uni_hamburg} no charge; nitrogen heterocycle; 6RingOnly; 6ring; 1fragment
- Intermediates
- Aromatics
- {Chemicalbook} 农药中间体: 杀虫剂中间体: 其他杀虫剂
产品应用
- An intermediate in the preparation of nicotine derivatives.
相关文献及参考
- Short: III/20a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cl Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20a Year: 1988 Keyword: NQR ISBN: 3-540-18161-X ISBN: 978-3-540-18161-3 Internet Resource: DOI:10.1007/b31153 RefComment: IX,677 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different branches of chemistry. The volumes cover data for more than 8,000 substances in the solid state. Data for free molecules have been published in volumes II/14 and II/15 of the New Series. The tables are arranged according to the atomic number of the elements.
- 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 and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. NMR is now a leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data i
- Zhou, Z., et al.: Bioorg. Med. Chem., 9, 2061 (2001),
安全信息
GHS Symbol
- 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。
- 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。
- P302+P350
- 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。
- P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
- P332+P313
- P337+P313
- 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
- P403+P233
- P405 Store locked up. 上锁保管。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- 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
- 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；
- S37 Wear suitable gloves 戴适当手套；
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1689 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TOXIA6 Toxicon. (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW, UK) V.1- 1962- Volume(issue)/page/year: 23,815,1985
其他信息
- Alfa Aesar:3-甲基吡啶N-氧化物,98% 3-Picoline N-oxide, 98%(1003-73-2)
- Sigma Aldrich:1003-73-2(sigmaaldrich)
- F:3-10
- 下游产品:2-氨基-5-甲基吡啶 --> 2-氯-5-甲基吡啶 --> 吡虫啉
- 用途一:3-甲基吡啶-N-氧化物是吡虫啉、啶虫脒的中间体，用于合成下一步中间体2-氯-5-甲基吡啶。
- MOL 文件:1003-73-2.mol
- TCI Shanghai:3-甲基吡啶 N-氧化物 3-Picoline N-Oxide,>;97.0%(GC)(1003-73-2)
- MSDS 信息:3-Methylpyridine-N-oxide(1003-73-2).msds
- 方法一:其制备方法是3-甲基吡啶与过氧化氢在催化剂存在下反应制得。 将一定的3-甲基吡啶加到反应釜中，加入催化剂，在60～75℃滴加双氧水，并在此温度下反应7～8h，然后减压脱水即得到3-甲基吡啶-N-氧化物。
- 敏感性:Hygroscopic
- 上游原料:过氧化氢 --> 3-甲基吡啶
- Acros Organics:3-Picoline-N-oxide, 98%(1003-73-2)
- 3-甲基吡啶氧化物价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0419 3-甲基吡啶N-氧化物 3-Methylpyridine N-Oxide 25G 344元 2010/06/21 131151000 3-甲基吡啶氧化物 3-Picoline-N-oxide 98% 100 GR 412元 2010/06/21 131155000 3-甲基吡啶氧化物 3-Picoline-N-oxide 98% 500 GR 1627元
