6-Methylpyridine-2-Carbonitrile 6-甲基-2-吡啶腈

CAS 1620-75-3 MFCD00190586

化学结构图

1620-75-3
SMILES: Cc1cccc(C#N)n1

化学属性

Mol. FormulaC7H6N2
Mol. Weight118.14
Density1.08
Melting Point70-74°C
Boiling Point238.2°C at 760 mmHg
Flash Point0°C

别名和识别编码

Chemical Name6-Methylpyridine-2-Carbonitrile
CAS Number1620-75-3
Alfabeta NameCYANOMETHYLPYRIDINE 26---
MDL NumberMFCD00190586
Synonym 6-Methylpicolinonitrile {LY} 6-Methylpicolinonitrile {} {LY} 6-Methylpicolinonitrile {} {} {LY} 6-Methylpicolinonitrile {} {} {} {LY} 6-Methylpicolinonitrile {} {} {} {} {LY} 6-Methylpicolinonitrile {} {} {} {} {} {LY} 6-Methylpicolinonitrile {} {} {} {} {} {} {LY} 6-Methylpicolinonitrile {} {} {} {} {} {} {} {LY} 6-Methylpicolinonitrile {} {} {} {} {} {} {} {} {LY} 6-Methylpicolinonitrile {} {} {} {} {} {} {} {} {} {LY} 6-Methylpicolinonitrile {} {} {} {} {} {} {} {} {} {} {LY} 6-Methylpicolinonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Methylpicolinonitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Methylpicolinonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Methylpicolinonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Methylpicolinonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Methylpicolinonitrile
EC Number216-588-9
Beilstein Registry Number2384789
PubChem Substance ID74182
Chemical Name Translation6-甲基-2-吡啶腈
InChIKeyCMADFEQMYFNYCF-UHFFFAOYSA-N
Reaxys-RN111107
LabNetwork Molecule IDLN00174949
InChIInChI=1S/C7H6N2/c1-6-3-2-4-7(5-8)9-6/h2-4H,1H3
Canonical SMILESCC1=NC(C#N)=CC=C1
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分类

  • Intermediates
  • Aromatics
  • Heterocycles
  • {SNA} Building Blocks, C7, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines

产品应用

  • Intermediate in the preparation of selective cyclooxygenase-2 inhibitors and calcium antagonists

相关文献及参考

  • Ashimori, A., et al.: Chem. Pharm. Bull., 38, 2446 (1990),
  • Khanna, I., et al.: J. Med. Chem., 43, 3168 (2000),

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
  • 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；
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
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。
  • 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+P310+P330
  • P302+P352
  • P302+P352+P312+P361+P364
  • P304+P340
  • P304+P340+P311
  • 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.....
Hazard Codes Xi
Hazard statements
  • H301+H311+H331
  • 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
Hazard Class6.1
UN Number 3439
Packing GroupIII
Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

其他信息

  • MOL 文件:1620-75-3.mol
  • Sigma Aldrich:1620-75-3(sigmaaldrich)
  • 检测方法:HPLC
  • 上游原料:氢氧化钠 --> N,N-二甲基甲酰胺 --> 溴 --> 亚硝酸钠 --> 氢溴酸 --> 三氯化铁 --> 氰化亚铜 --> 2-氨基6-甲基吡啶

系列性分类

  1. C7 to C8 - Pyridines
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyridines 吡啶

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