Pyrrole-2-carbonitrile 吡咯-2-腈
CAS 4513-94-4 MFCD00234061
化学结构图
SMILES: N#Cc1ccc[nH]1
化学属性
| Mol. Formula | C5H4N2 |
|---|---|
| Mol. Weight | 92.10 |
| Boiling Point | 252.3°C at 760 mmHg |
| Density | 1.081 |
| Refractive index | n20/D 1.5513 |
| TSCA | No |
| Flash Point | >110°C |
| Melting Point | 92°C |
别名和识别编码
| Chemical Name | Pyrrole-2-carbonitrile |
|---|---|
| CAS Number | 4513-94-4 |
| Alfabeta Name | PYRROLECARBONITRILE H12--- |
| MDL Number | MFCD00234061 |
| Synonym | 1H-Pyrrole-2-carbonitrile {LY} 1H-Pyrrole-2-carbonitrile {} {LY} 1H-Pyrrole-2-carbonitrile {} {} {LY} 1H-Pyrrole-2-carbonitrile {} {} {} {LY} 1H-Pyrrole-2-carbonitrile {} {} {} {} {LY} 1H-Pyrrole-2-carbonitrile {} {} {} {} {} {LY} 1H-Pyrrole-2-carbonitrile {} {} {} {} {} {} {LY} 1H-Pyrrole-2-carbonitrile {} {} {} {} {} {} {} {LY} 1H-Pyrrole-2-carbonitrile {} {} {} {} {} {} {} {} {LY} 1H-Pyrrole-2-carbonitrile {} {} {} {} {} {} {} {} {} {LY} 1H-Pyrrole-2-carbonitrile {} {} {} {} {} {} {} {} {} {} {LY} 1H-Pyrrole-2-carbonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Pyrrole-2-carbonitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Pyrrole-2-carbonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Pyrrole-2-carbonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Pyrrole-2-carbonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Pyrrole-2-carbonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} |
| EC Number | 250-023-7 |
| Beilstein Registry Number | 107047 |
| PubChem Substance ID | 24884976 |
| Chemical Name Translation | 吡咯-2-腈 |
| LabNetwork Molecule ID | LN00158665 |
| Canonical SMILES | N#CC1=CC=CN1 |
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分类
- {uni_hamburg} no charge; nitrogen heterocycle; aromatic; 5ring; 1fragment
- {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Pyrroles
相关文献及参考
- 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/24B Title: Molecular Constants mostly from Microwave, Molecular Beam, and Sub-Doppler Laser Spectroscopy: Rotational, Centrifugal Distortion and Related Constants of Diamagnetic Asymmetric Top Molecules Author: Demaison, J.; Vogt, J.; Wlodarczak, G. Editor: Hüttner, W. Source: Landolt-Börnstein, New Series Volume: II/24B Year: 2000 Keyword: Diamagnetics Diatomics; Linear Symmetric Rotors; Molecular Constants; Molecules ISBN: 3-540-65345-7 ISBN: 978-3-540-65345-5 Internet Resource: DOI:10.1007/b58835 RefComment: VIII, 525 pages. Hardcover Abstract: Volume II/24 presents the spectroscopic data on diamagnetic and paramagnetic molecules as well as on molecular ions and radicals up to date considering the publications up to and partly including 1997. The spectroscopic information collected in this volume has been obtained principally from gas phase microwave measurements. Volume II/24 is a supplement to volumes II/4, II/6, II/14, and II/19 and is planned to appear in five subvolumes, the last of which will contain the substance index taking into account all molecules worked at since 1967 in the volumes mentioned and will provide cross references to and between all tables of these. The present subvolume II/24B contains an introduction and tables of rotational and centrifugal distortion constants of asymmetric-top molecules, i.e. data which roughly specifies the frequencies of the rotational transitions of these types of rotors.
- Short: II/24C Title: Molecular Constants mostly from Microwave,
安全信息
GHS Symbol
- 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；
- 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
- R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
- R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- 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。
- P305+P351+P338
- H332 Harmful if inhaled 吸入有害
- H315 Causes skin irritation 会刺激皮肤
- H302 Harmful if swallowed 吞食有害
- H312 Harmful in contact with skin 皮肤接触有害
- H335 May cause respiratory irritation 可能导致呼吸道刺激
- H318 Causes serious eye damage 严重伤害眼睛
- H302+H312+H332
其他信息
- 吡咯-2-腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 368350050 吡咯-2-腈 Pyrrole-2-carbonitrile 98% 5 GR 1668元 2010/06/21 368350010 吡咯-2-腈 Pyrrole-2-carbonitrile 98% 1 GR 477元 2010/05/25 L15330 吡咯-2-甲腈, 99% Pyrrole-2-carbonitrile, 99% 5g 1624元
- Sigma Aldrich:4513-94-4(sigmaaldrich)
- Acros Organics:吡咯-2-甲腈 Pyrrole-2-carbonitrile, 98%(4513-94-4)
- 检测方法:GC,NMR,MS
- Alfa Aesar:吡咯-2-甲腈,99% Pyrrole-2-carbonitrile, 99%(4513-94-4)
- 上游原料:乙醚 --> 乙酐 --> 苯 --> 盐酸羟胺 --> 无水醋酸钠 --> 2-吡咯甲醛
- MOL 文件:4513-94-4.mol
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