4-Nitrobenzotrifluoride 对三氟甲基硝基苯

CAS 402-54-0 MFCD00007358

化学结构图

402-54-0
SMILES: O=[N+]([O-])c1ccc(C(F)(F)F)cc1

化学属性

Mol. FormulaC7H4F3NO2
Mol. Weight191
Boiling Point81-83
Melting Point38-40
Density1.422
Flash Point88°(190°F)
TSCANo

别名和识别编码

Chemical Name4-Nitrobenzotrifluoride
CAS Number402-54-0
Alfabeta NameNITROBENZOTRIFLUORIDE 4-
MDL NumberMFCD00007358
Synonym 1-Nitro-4-(trifluormethyl)benzen 1-Trifluoromethyl-4-nitrobenzene 1-硝基-4-(三氟甲基)苯 4-(Trifluoromethyl)-1-nitrobenzene 4-NITRO-A,A,A-TRIFLUOROTOLUENE 4-Nitro-alpha,alpha,alpha-trifluorotoluene 4-Nitro-alpha,alpha,alpha-trifluorotoluene~4-(Trifluoromethyl)nitrobenzene 4-Nitro-benzotrifluoride 4-Nitro-α,α,α-trifluoro-toluene 4-Nitro-α,α,α-trifluorotoluene 4-Nitro-α,α,α-trifluorotoluene-D4 4-Nitrotrifluorotoluene 4-Trifluoromethylnitrobenzene 4-硝基三氟甲苯 p-(Trifluoromethyl)nitrobenzene Benzene, 1-nitro-4-(trifluoromethyl)- Toluene, α,α,α-trifluoro-p-nitro- p-Nitro(trifluoromethyl)benzene {} {} {Chemicalb α,α,α-Trifluoro-p-nitrotoluene
EC Number206-948-3
Beilstein Registry Number2384789
PubChem Substance ID9821
Reaxys-RN1963381
Chemical Name Translation对三氟甲基硝基苯
InChIKeyXKYLCLMYQDFGKO-UHFFFAOYSA-N
LabNetwork Molecule IDLN00116941
InChIInChI=1S/C7H4F3NO2/c8-7(9,10)5-1-3-6(4-2-5)11(12)13/h1-4H
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Nitro Compounds, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Short: III/35B Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Fluorine-19 and Nitrogen-15 Author: Balasubramanian, M.; Gupta, R.R.; Jain, M.; Perumal, S. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35B Year: 1998 ISBN: 3-540-63275-1 ISBN: 978-3-540-63275-7 Internet Resource: DOI:10.1007/b55685 RefComment: VII, 242 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CO-ROM's.
  • 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 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are

安全信息

Warnings TOXIC
Signal word Danger
GHS Symbol
WGK Germany3
Safety Statements
  • 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;
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后,立即用大量…(由生产厂家指定)冲洗;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • 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;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
Risk Statements
  • R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
  • R22 Harmful if swallowed 吞咽有害
  • R23 Toxic by inhalation 吸入有毒
  • R26 Very toxic by inhalation 吸入极毒
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P301+P312+P330
  • P302+P350
  • P302+P352+P332+P313+P362+P364
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P337+P313
  • 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
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Packing GroupII
UN Number 3431
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H330 Fatal if inhaled 吸入致命
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Hazard Codes 6.1 T+
Hazard Class6.1

其他信息

  • Hazard Note:Toxic/Irritant
  • 4-硝基三氟甲苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 199260010 4-硝基三氟甲苯 4-Nitrobenzotrifluoride 96% 1 GR 507元 2010/06/21 199260050 4-硝基三氟甲苯 4-Nitrobenzotrifluoride 96% 5 GR 2004元 2010/05/25 L15766 对三氟甲基硝基苯, 98% 4-Nitrobenzotrifluoride, 98% 5g 840元
  • Acros Organics:4-硝基三氟甲苯 4-Nitrobenzotrifluoride, 96%(402-54-0)
  • 图谱信息:4-硝基三氟甲苯(402-54-0)红外图谱(IR2) 4-硝基三氟甲苯(402-54-0)Raman光谱 4-硝基三氟甲苯(402-54-0)红外图谱(IR1) 4-硝基三氟甲苯(402-54-0)核磁图( 1 HNMR) 4-硝基三氟甲苯(402-54-0)核磁图( 13 CNMR) 4-硝基三氟甲苯(402-54-0)质谱(MS)
  • MSDS 信息:4-Nitrobenzotrifluoride(402-54-0).msds
  • MOL 文件:402-54-0.mol
  • Sigma Aldrich:402-54-0(sigmaaldrich)
  • Alfa Aesar:对三氟甲基硝基苯,98% 4-Nitrobenzotrifluoride, 98%(402-54-0)

系列性分类


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