Methyl 4-(trifluoromethyl)benzoate 4-（三氟甲基）苯甲酸甲酯
CAS 2967-66-0 MFCD00042324
化学结构图
SMILES: COC(=O)c1ccc(C(F)(F)F)cc1
化学属性
| Mol. Formula | C9H7F3O2 |
|---|---|
| Mol. Weight | 204.15 |
| Boiling Point | 199.2°C at 760 mmHg |
| Density | 1.268 |
| Refractive index | 1.4500 to 1.4540 |
| Flash Point | 82°C |
| TSCA | No |
| Melting Point | 13-14°C |
| Appearance | 无色透明液体，冬天为类白色块状固体。沸点 86℃，熔点 13-14℃，密度1.268 g/mL at 25 °C，折光率n20/D 1.451，闪点180 °F |
别名和识别编码
| Chemical Name | Methyl 4-(trifluoromethyl)benzoate |
|---|---|
| CAS Number | 2967-66-0 |
| Alfabeta Name | METHYLTRIFLUOROMETHYLBENZOATE 4()- |
| MDL Number | MFCD00042324 |
| Synonym | Methyl 4-(trifluoromethyl)benzoate {LY} Methyl 4-(trifluoromethyl)benzoate {} {LY} Methyl 4-(trifluoromethyl)benzoate {} {} {LY} Methyl 4-(trifluoromethyl)benzoate {} {} {} {LY} Methyl 4-(trifluoromethyl)benzoate {} {} {} {} {LY} Methyl 4-(trifluoromethyl)benzoate {} {} {} {} {} {LY} Methyl 4-(trifluoromethyl)benzoate {} {} {} {} {} {} {LY} Methyl 4-(trifluoromethyl)benzoate {} {} {} {} {} {} {} {LY} Methyl 4-(trifluoromethyl)benzoate {} {} {} {} {} {} {} {} {LY} Methyl 4-(trifluoromethyl)benzoate {} {} {} {} {} {} {} {} {} {LY} Methyl 4-(trifluoromethyl)benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-(trifluoromethyl)benzoate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-(trifluoromethyl)benzoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-(trifluoromethyl)benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-(trifluoromethyl)benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-(trifluoromethyl)benzoa |
| EC Number | 250-023-7 |
| Beilstein Registry Number | 1963288 |
| PubChem Substance ID | 520447 |
| Reaxys-RN | 1963288 |
| Chemical Name Translation | 4-（三氟甲基）苯甲酸甲酯 |
| LabNetwork Molecule ID | LN00111206 |
| InChI | InChI=1S/C9H7F3O2/c1-14-8(13)6-2-4-7(5-3-6)9(10,11)12/h2-5H,1H3 |
| Canonical SMILES | C1=CC(=CC=C1C(F)(F)F)C(OC)=O |
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分类
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
- {SNA} Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, 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.
- Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keywor
安全信息
GHS Symbol
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- 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。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P264+P265
- 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。
- P302+P352
- P302+P352+P332+P313+P362+P364
- P304+P340
- 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。
- P319
- P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
- P332+P313
- P332+P317
- P337+P313
- P337+P317
- 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
- P362+P364
- P403+P233
- P405 Store locked up. 上锁保管。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- H227 Combustible liquid 可燃液体
- 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
其他信息
- MOL 文件:2967-66-0.mol
- Sigma Aldrich:2967-66-0(sigmaaldrich)
- Alfa Aesar:4-（三氟甲氧基）苯甲酸甲酯,98% Methyl 4-(trifluoromethyl)benzoate, 98%(2967-66-0)
- 4-(三氟甲基)苯甲酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M1498 4-(三氟甲基)苯甲酸甲酯 Methyl 4-(Trifluoromethyl)benzoate 5G 662元 2014/06/02 M1498 4-(三氟甲基)苯甲酸甲酯 Methyl 4-(Trifluoromethyl)benzoate 25G 2060元 2010/06/21 305970050 4-(三氟甲基)苯甲酸甲酯 Methyl 4-(trifluoromethyl)benzoate 99% 5 GR 757元
- Hazard Note:Irritant
- Acros Organics:4-（三氟甲基）苯甲酸甲酯 Methyl 4-(trifluoromethyl)benzoate, 99%(2967-66-0)
- TCI Shanghai:4-(三氟甲基)苯甲酸甲酯 Methyl 4-(Trifluoromethyl)benzoate,>;98.0%(GC)(2967-66-0)
