Phenol, 3-fluoro-, 1-acetate 苯酚,3-氟-,1-乙酸盐
CAS 701-83-7 MFCD00142578
化学结构图
SMILES: CC(=O)Oc1cccc(F)c1
化学属性
| Mol. Formula | C8H7FO2 |
|---|---|
| Mol. Weight | 154.14 |
| Boiling Point | 77-78°C at 13 mmHg |
| Density | 1.147 |
| Refractive index | 1.4780 to 1.4820 |
| Flash Point | 75°C(lit.) |
| TSCA | No |
别名和识别编码
| Chemical Name | Phenol, 3-fluoro-, 1-acetate |
|---|---|
| CAS Number | 701-83-7 |
| Alfabeta Name | FLUOROPHENYLACETATE 3- |
| MDL Number | MFCD00142578 |
| PubChem Substance ID | 136542 |
| Reaxys-RN | 2555261 |
| Synonym | 3-Fluorophenyl acetate {LY} 3-Fluorophenyl acetate {} {LY} 3-Fluorophenyl acetate {} {} {LY} 3-Fluorophenyl acetate {} {} {} {LY} 3-Fluorophenyl acetate {} {} {} {} {LY} 3-Fluorophenyl acetate {} {} {} {} {} {LY} 3-Fluorophenyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluorophenyl acetate {} {} {} {} {} {} {} {LY} 3-Fluorophenyl acetate {} {} {} {} {} {} {} {} {LY} 3-Fluorophenyl acetate {} {} {} {} {} {} {} {} {} {LY} 3-Fluorophenyl acetate {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluorophenyl acetate {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluorophenyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluorophenyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluorophenyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluorophenyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluorophenyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} |
| Beilstein Registry Number | 2555261 |
| Chemical Name Translation | 苯酚,3-氟-,1-乙酸盐 |
| InChIKey | IAWZWMGUTKRLQB-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN00116166 |
| InChI | InChI=1S/C8H7FO2/c1-6(10)11-8-4-2-3-7(9)5-8/h2-5H,1H3 |
| Canonical SMILES | CC(=O)OC1=CC=CC(=C1)F |
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分类
- Aryl Fluorinated Building Blocks, Building Blocks, C7-C8, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Fluorinated Building Blocks, Organic Building Blocks, Organic Fluorinated Building Blocks, Other Fluorinated Organic Building Blocks
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
- {SNA} Aryl Fluorinated Building Blocks, Building Blocks, C7-C8, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Fluorinated Building Blocks, Organic Building Blocks, Organic Fluorinated Building Blocks, Other Fluorinated Organic Building Blocks
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
- 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。
- 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。
- 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
- H315 Causes skin irritation 会刺激皮肤
- H317 May cause an allergic skin reaction 可能导致皮肤过敏
- H318 Causes serious eye damage 严重伤害眼睛
- H302 Harmful if swallowed 吞食有害
- H335 May cause respiratory irritation 可能导致呼吸道刺激
- H227 Combustible liquid 可燃液体
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；
- 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
- R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
- R22 Harmful if swallowed 吞咽有害
其他信息
- Sigma Aldrich:701-83-7(sigmaaldrich)
- 乙酸3-氟苯基价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 L13465 3-氟苯酚乙酸酯, 98% 3-Fluorophenyl acetate, 98% 5g 619元 2010/05/25 L13465 3-氟苯酚乙酸酯, 98% 3-Fluorophenyl acetate, 98% 25g 2520元
- Alfa Aesar:3-氟苯酚乙酸酯,98% 3-Fluorophenyl acetate, 98%(701-83-7)
- Hazard Note:Harmful
- MOL 文件:701-83-7.mol
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