3-Cyanobenzyl alcohol 3-羟甲基苯腈
CAS 874-97-5 MFCD01321087
化学结构图
SMILES: N#Cc1cccc(CO)c1
化学属性
| Mol. Formula | C8H7NO |
|---|---|
| Mol. Weight | 133.15 |
| Flash Point | 109°C |
| TSCA | No |
| Refractive index | 1.5560 to 1.5600 |
| Boiling Point | 283.8°C at 760 mmHg |
| Melting Point | 28-32°C |
别名和识别编码
| Chemical Name | 3-Cyanobenzyl alcohol |
|---|---|
| CAS Number | 874-97-5 |
| Alfabeta Name | CYANOBENZYLALCOHOL 3- |
| MDL Number | MFCD01321087 |
| Synonym | 3-Cyanobenzyl alcohol {LY} 3-Cyanobenzyl alcohol {} {LY} 3-Cyanobenzyl alcohol {} {} {LY} 3-Cyanobenzyl alcohol {} {} {} {LY} 3-Cyanobenzyl alcohol {} {} {} {} {LY} 3-Cyanobenzyl alcohol {} {} {} {} {} {LY} 3-Cyanobenzyl alcohol {} {} {} {} {} {} {LY} 3-Cyanobenzyl alcohol {} {} {} {} {} {} {} {LY} 3-Cyanobenzyl alcohol {} {} {} {} {} {} {} {} {LY} 3-Cyanobenzyl alcohol {} {} {} {} {} {} {} {} {} {LY} 3-Cyanobenzyl alcohol {} {} {} {} {} {} {} {} {} {} {LY} 3-Cyanobenzyl alcohol {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Cyanobenzyl alcohol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Cyanobenzyl alcohol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Cyanobenzyl alcohol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Cyanobenzyl alcohol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Cyanobenzyl alcohol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} |
| PubChem Substance ID | 2734677 |
| Beilstein Registry Number | 10(4)617 |
| Reaxys-RN | 3235555 |
| Chemical Name Translation | 3-羟甲基苯腈 |
| LabNetwork Molecule ID | LN00158279 |
| InChI | InChI=1S/C8H7NO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,10H,6H2 |
| Canonical SMILES | N#CC1=CC(CO)=CC=C1 |
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分类
- {SNA} Building Blocks, C8 to C9, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; alcohol; 1fragment
相关文献及参考
- Short: III/35D2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 2: Aromatic Compounds Author: Mikhova, B. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D2 Year: 2005 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-20189-2 ISBN: 3-540-20189-0 Internet Resource: DOI:10.1007/b83345 RefComment: VIII, 291 p., 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. The spectral lines of the nuclei are highly influenced by the chemical environment i.e. the structure and interaction of the molecules. NMR is now the 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 intend to 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 11B and 31P, subvolume III/35B contains the nuclei 19F and 15N, subvolume III/35C contains the nucleus 1H, subvolume III/35D contains the nucleus 13C, subvolume III/35E contains the nucleus 17O, and subvolume III/35G contains the nucleus 77Se. More nuclei will be presented later.
安全信息
- S36 Wear suitable protective clothing 穿戴适当的防护服；
- 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；
- 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；
- 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 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
- 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
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。
- P304+P340+P312
- 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。
- 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。
- P302+P352+P312+P362+P364
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- P301+P312+P330
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- 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。
- P302+P350
- P305+P351+P338
- P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
- 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
- H302+H312+H332
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