4-(Trifluoromethyl)benzonitrile α,α,α-三氟对甲苯腈
CAS 455-18-5 MFCD00001826
化学结构图
SMILES: N#Cc1ccc(C(F)(F)F)cc1
化学属性
| Mol. Formula | C8H4F3N |
|---|---|
| Mol. Weight | 171 |
| Boiling Point | 80-81 |
| TSCA | T |
| Melting Point | 39-41 |
| Density | 1.278 |
| Refractive index | n20/D 1.4583(lit.) |
| Flash Point | 71°(159°F) |
| Appearance | 无色或淡黄色固体。熔点39-41℃，沸点80-81℃，相对密度1.278。 |
别名和识别编码
| Chemical Name | 4-(Trifluoromethyl)benzonitrile |
|---|---|
| CAS Number | 455-18-5 |
| Alfabeta Name | TRIFLUOROMETHYLBENZONITRILE 4()- |
| MDL Number | MFCD00001826 |
| Synonym | 4-(TRIFLUOROMETHYL)-PHENYL CYANIDE 4-(Trifluormethyl)-benzoesäurenitril 4-(Trifluormethyl)-benzonitril 4-(trifluoromethyl)-benzonitril 4-CYANOBENZOTRIFLUORIDE 4-Cyanobenzotrifluoride,α,α,α-Trifluoro-p-tolunitrile 4-Trifluoromethylbenzonitrile 4-三氟甲基苯腈，4-(三氟甲基)苯腈 p-( p-Tolunitrile, α,α, α-trifluoro- p-Trifluoromethylbenzonitrile Benzonitrile, 4-(trifluoromethyl)- Benzonitrile, 4-trifluoromethyl- Benzonitrile, p-(trifluoromethyl)- Benzonitrile, p-(trifluoromethyl)- PARA-TRIFLUOROMETHYL-BENZONITRILE PTF-CN alpha,alpha,alpha-Trifluoro-p-toluonitrile p-Tolunitrile, alpha,alpha,alpha-trifluoro- à,à,à-trifluoro-p-tolunitrile Α,Α,Α-三氟-苄腈 Α,Α,Α-三氟对甲 |
| EC Number | 207-239-1 |
| Beilstein Registry Number | 2046478 |
| PubChem Substance ID | 67995 |
| Chemical Name Translation | α,α,α-三氟对甲苯腈 |
| Reaxys-RN | 2046478 |
| InChIKey | DRNJIKRLQJRKMM-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN00116699 |
| InChI | InChI=1S/C8H4F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H |
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分类
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
- {SNA} Building Blocks, C8 to C9, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks
相关文献及参考
- Short: III/31a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cu Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/31a Year: 1993 Keyword: NQR ISBN: 3-540-55146-8 ISBN: 978-3-540-55146-1 Internet Resource: DOI:10.1007/b43999 RefComment: VIII, 437 pages. Hardcover Abstract: Volume III/31 continues the compilation of nuclear quadrupole resonance spectroscopy data of solid substances which started in with volume III/20 in 1987 covering the literature from the beginning of nuclear quadrupole resonance spectroscopy in 1951 to 1982 and containing the data for 8000 substances in the solid state, distributed among three subvolumes III/20 a, b, and c. Volume III/31 covers the literature published in the period from the end of 1982 through the end of 1989. Included are the data for substances studied for the first time, as well as data for substances already present in the previous volume III/20 if the data published there could be completed or improved by new studies. In total there are 2500 substances in volume III/31, showing the scope and significance of nuclear quadrupole resonance spectroscopy up to recent times.
- 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, orie
安全信息
Warnings
LACHRYMATOR, TOXIC
UN Number
1325
3439
Risk Statements
- R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Safety Statements
- S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Signal word
Danger
GHS Symbol
WGK Germany3
Precautionary statements
- 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。
- 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。
- 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+P350
- P304+P340+P311
- P305+P351+P338
- P332+P313
- P337+P313
- P403+P233
- P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
- H301+H311+H331
- H228 Flammable solid 易燃固体
- H302+H312+H332
- H332 Harmful if inhaled 吸入有害
- H302 Harmful if swallowed 吞食有害
- H312 Harmful in contact with skin 皮肤接触有害
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Packing GroupII
Hazard Codes
4.1
Xn
Hazard Class6.1
其他信息
- 图谱信息:对三氟甲基苯腈(455-18-5)红外图谱(IR1) 对三氟甲基苯腈(455-18-5)质谱(MS)
- TCI Shanghai:4-(三氟甲基)苯甲腈 4-(Trifluoromethyl)benzonitrile,>;98.0%(GC)(455-18-5)
- 对三氟甲基苯腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C1005 4-(三氟甲基)苯甲腈 4-(Trifluoromethyl)benzonitrile 5G 218元 2014/06/02 C1005 4-(三氟甲基)苯甲腈 4-(Trifluoromethyl)benzonitrile 25G 670元 2010/06/21 188320050 对三氟甲基苯腈 alpha,alpha,alpha-Trifluoro-p-tolunitrile 99% 5 GR 362元
- TSCA:T
- Alfa Aesar:4-(三氟甲基)苯甲腈,98% 4-(Trifluoromethyl)benzonitrile, 98%(455-18-5)
- 海关编码:29269095
- Sigma Aldrich:455-18-5(sigmaaldrich)
- 下游产品:
- Hazard Note:Lachrymatory
- MOL 文件:455-18-5.mol
- Acros Organics:α,α,α-三氟对甲苯腈 alpha,alpha,alpha-Trifluoro-p-tolunitrile, 99%(455-18-5)
- MSDS 信息:4-(Trifluoromethyl)benzonitrile(455-18-5).msds
- 敏感性:Lachrymatory
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