2-Fluoro-5-nitrobenzotrifluoride 2-氟-5-硝基三氟甲苯

CAS 400-74-8 MFCD00024576

化学结构图

400-74-8
SMILES: O=[N+]([O-])c1ccc(F)c(C(F)(F)F)c1

化学属性

Mol. FormulaC7H3F4NO2
Mol. Weight209.10
Boiling Point261.2°C at 760 mmHg
Density1.522
Refractive index1.4630 to 1.4660
Flash Point111.7°C
TSCANo
Appearance 淡黄色液体
Melting Point22-24 °C

别名和识别编码

Chemical Name2-Fluoro-5-nitrobenzotrifluoride
CAS Number400-74-8
Alfabeta NameFLUORONITROBENZOTRIFLUORIDE 25---
MDL NumberMFCD00024576
Synonym 1-Fluoro-4-nitro-2-(trifluoromethyl)benzene {LY} 1-Fluoro-4-nitro-2-(trifluoromethyl)benzene {} {LY} 1-Fluoro-4-nitro-2-(trifluoromethyl)benzene {} {} {LY} 1-Fluoro-4-nitro-2-(trifluoromethyl)benzene {} {} {} {LY} 1-Fluoro-4-nitro-2-(trifluoromethyl)benzene {} {} {} {} {LY} 1-Fluoro-4-nitro-2-(trifluoromethyl)benzene {} {} {} {} {} {LY} 1-Fluoro-4-nitro-2-(trifluoromethyl)benzene {} {} {} {} {} {} {LY} 1-Fluoro-4-nitro-2-(trifluoromethyl)benzene {} {} {} {} {} {} {} {LY} 1-Fluoro-4-nitro-2-(trifluoromethyl)benzene {} {} {} {} {} {} {} {} {LY} 1-Fluoro-4-nitro-2-(trifluoromethyl)benzene {} {} {} {} {} {} {} {} {} {LY} 1-Fluoro-4-nitro-2-(trifluoromethyl)benzene {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 1-Fluoro-4-nitro-2-(trifluoromethyl)benzene {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Fluoro-4-nitro-2-(trifluoromethyl)benzene {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Fluoro-4-nitro-2-(trifluoromethyl)b
EC Number206-925-8
Beilstein Registry Number1881423
PubChem Substance ID94954
Reaxys-RN1881423
Chemical Name Translation2-氟-5-硝基三氟甲苯
InChIKeyDNTHMWUMRGOJRY-UHFFFAOYSA-N
LabNetwork Molecule IDLN00009005
InChIInChI=1S/C7H3F4NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H
Canonical SMILESFC(C1=CC([N+]([O-])=O)=CC=C1F)(F)F
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分类

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

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/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C1 Year: 2000 ISBN: 3-540-66780-6 ISBN: 978-3-540-66780-3 Internet Resource: DOI:10.1007/b60149 RefComment: VII, 310 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,

安全信息

Warnings IRRITANT, TOXIC
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
  • 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；
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
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。
  • 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+P312+P362+P364
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Packing GroupIII
UN Number UN2810
Hazard Codes Xn Xi
Hazard statements
  • 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
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Class6.1
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 用途一:用于有机合成
  • MSDS 信息:2-Fluoro-5-nitrobenzotrifluoride(400-74-8).msds
  • MOL 文件:400-74-8.mol
  • Sigma Aldrich:400-74-8(sigmaaldrich)
  • Hazard Note:Irritant
  • 2-氟-5-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 2014/06/02 F0373 2-氟-5-硝基三氟甲苯 2-Fluoro-5-nitrobenzotrifluoride 5G 378元 2014/06/02 F0373 2-氟-5-硝基三氟甲苯 2-Fluoro-5-nitrobenzotrifluoride 25G 1250元 2010/05/25 A18130 2-氟-5-硝基三氟甲苯, 98% 2-Fluoro-5-nitrobenzotrifluoride, 98% 5g 409元
  • TCI Shanghai:2-氟-5-硝基三氟甲苯 2-Fluoro-5-nitrobenzotrifluoride,>;98.0%(GC)(400-74-8)
  • 图谱信息:2-氟-5-硝基三氟甲苯(400-74-8)质谱(MS) 2-氟-5-硝基三氟甲苯(400-74-8)红外图谱(IR1) 2-氟-5-硝基三氟甲苯(400-74-8)核磁图( 13 CNMR) 2-氟-5-硝基三氟甲苯(400-74-8)核磁图( 1 HNMR)
  • Acros Organics:2-氟-5-硝基三氟甲苯 2-Fluoro-5-nitrobenzotrifluoride, 98%(400-74-8)
  • Alfa Aesar:2-氟-5-硝基三氟甲苯,98% 2-Fluoro-5-nitrobenzotrifluoride, 98%(400-74-8)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Nitro Compounds 硝基化合物
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Nitro Compounds 硝基化合物
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物

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