1-Benzylpyrrole 1-苄基吡咯
CAS 2051-97-0 MFCD00963301
化学结构图
SMILES: c1ccc(Cn2cccc2)cc1
化学属性
| Mol. Formula | C11H11N |
|---|---|
| Mol. Weight | 157.22 |
| Boiling Point | 247 °C at 760 mmHg |
| Refractive index | 1.5660 to 1.5700 |
| Density | 1.020 |
| TSCA | Yes |
| Flash Point | 46°C(lit.) |
| Melting Point | 15 °C |
别名和识别编码
| Chemical Name | 1-Benzylpyrrole |
|---|---|
| Synonym | 1-Benzylpyrrole {LY} 1-Benzylpyrrole {} {LY} 1-Benzylpyrrole {} {} {LY} 1-Benzylpyrrole {} {} {} {LY} 1-Benzylpyrrole {} {} {} {} {LY} 1-Benzylpyrrole {} {} {} {} {} {LY} 1-Benzylpyrrole {} {} {} {} {} {} {LY} 1-Benzylpyrrole {} {} {} {} {} {} {} {LY} 1-Benzylpyrrole {} {} {} {} {} {} {} {} {LY} 1-Benzylpyrrole {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} 1-Benzylpyrrole {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzylpyrrole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzylpyrrole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzylpyrrole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzylpyrrole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzylpyrrole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzylpyrrole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzylpyrrole {} {} {} {} {} {} {} {} {} {} {} {} {} |
| MDL Number | MFCD00963301 |
| CAS Number | 2051-97-0 |
| PubChem Substance ID | 87565161 |
| EC Number | 218-137-1 |
| Reaxys-RN | 110937 |
| Chemical Name Translation | 1-苄基吡咯 |
| InChIKey | FNEQHKCQXDKYEO-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN01364862 |
| InChI | InChI=1S/C11H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-9H,10H2 |
| Canonical SMILES | N1(CC2=CC=CC=C2)C=CC=C1 |
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分类
- {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; 5ring; 6ring; 1fragment
- {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Pyrroles
相关文献及参考
- 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 is therefore of major interest to all scientists and engineers who use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei B-11 and P-31, subvolume III/35B contains the nuclei F-19 and N-15, subvolume III/35C contains the nucleus H-1, subvolume III/35D contains the nucleus C-13, subvolume III/35E contains the nucleus O-17, and subvolume III/35G contains the nucleus Se-77. More nuclei are planned for future volumes.
- Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Res
安全信息
GHS Symbol
- 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。
- P303+P361+P353
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- 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。
- P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
- P370+P378
- P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P305+P351+P338
- P403+P235
- P241+P242+P243
- P233 Keep container tightly closed. ?保持容器密闭。
- 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
- H226 Flammable liquid and vapour 易燃液体和蒸气
- 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；
- 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；
- S37 Wear suitable gloves 戴适当手套；
- 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；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- R10 Flammable 易燃
其他信息
- Sigma Aldrich:2051-97-0(sigmaaldrich)
- MOL 文件:2051-97-0.mol
- TCI Shanghai:1-苯甲基吡咯 1-Benzylpyrrole,>;96.0%(GC)(2051-97-0)
- 1-苄基吡咯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B2335 1-苯甲基吡咯 1-Benzylpyrrole 5G 717元
