3-(Trifluoromethyl)anisole 3-(三氟甲基)苯甲醚
CAS 454-90-0 MFCD00000385
化学结构图
SMILES: COc1cccc(C(F)(F)F)c1
化学属性
| Mol. Formula | C8H7F3O |
|---|---|
| Mol. Weight | 176 |
| Boiling Point | 160°C(lit.) |
| Density | 1.215 |
| Refractive index | 1.4410 to 1.4450 |
| Flash Point | 48°C(lit.) |
| TSCA | No |
| Appearance | 无色透明液体。 |
| Danger-Level | 乙类 |
别名和识别编码
| Chemical Name | 3-(Trifluoromethyl)anisole |
|---|---|
| CAS Number | 454-90-0 |
| Alfabeta Name | TRIFLUOROMETHYLANISOLE 3()- |
| MDL Number | MFCD00000385 |
| Synonym | 间三氟甲基苯甲醚 3-Methoxy-α,α,α-trifluorobenzene 3-(TRIFLUOROMETHYL)ANISOLE 3-(Trifluormethyl)-anisol M-TRIFLUOROMETHYLMETHOXYBENZENE 3-trifluoromethyl-anisole m-Trifluoromethylmethoxybenzen 3-(Trifluoromethyl)phenyl(methyl) ether 3-(trifluoromethyl)anisole 3-(TRIFLUOROMETHYL)ANISOLE 99% 3-(Trifluoromethyl)aisole 3-Methoxybenzotrifluoride; 1-Methoxy-3-(trifluoromethyl)-benzene Benzene, 1-methoxy-3-(trifluoromethyl)- 3-(三氟甲基)苯甲醚 |
| EC Number | 207-229-7 |
| Beilstein Registry Number | 3048340 |
| Chemical Name Translation | 3-(三氟甲基)苯甲醚 |
| Reaxys-RN | 3048340 |
| PubChem Substance ID | 135727232 |
| InChIKey | XHONYVFDZSPELQ-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN00115961 |
| InChI | InChI=1S/C8H7F3O/c1-12-7-4-2-3-6(5-7)8(9,10)11/h2-5H,1H3 |
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分类
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ether; 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.
- Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.e
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；
- S37 Wear suitable gloves 戴适当手套；
- 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；
- S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
- R10 Flammable 易燃
- 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。
- P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
- P405 Store locked up. 上锁保管。
- P305+P351+P338
- P303+P361+P353
- 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。
- 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
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P332+P313
- P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
- P305+P351+P338+P337+P313
- P233 Keep container tightly closed. ?保持容器密闭。
- P403+P235
- P302+P352+P332+P313+P362+P364
- P241+P242+P243
- H226 Flammable liquid and vapour 易燃液体和蒸气
其他信息
- 图谱信息:3-(三氟甲基)苯甲醚(454-90-0)质谱(MS) 3-(三氟甲基)苯甲醚(454-90-0)红外图谱(IR1)
- MSDS 信息:1-Methoxy-3-(trifluoromethyl)-benzene(454-90-0).msds
- Alfa Aesar:3-(三氟甲基)苯甲醚,99% 3-(Trifluoromethyl)anisole, 99%(454-90-0)
- MOL 文件:454-90-0.mol
- Hazard Note:Irritant
- Acros Organics:3-(Trifluoromethyl)anisole, 99%(454-90-0)
- 3-(三氟甲基)苯甲醚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 199780050 3-(三氟甲基)苯甲醚 3-(Trifluoromethyl)anisole 99% 5 GR 547元 2010/05/25 B25249 3-(三氟甲基)苯甲醚, 99% 3-(Trifluoromethyl)anisole, 99% 5g 448元 2010/05/25 B25249 3-(三氟甲基)苯甲醚, 99% 3-(Trifluoromethyl)anisole, 99% 25g 1319元
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