2-Bromobenzotrifluoride 邻溴三氟甲苯

CAS 392-83-6 MFCD00000373

化学结构图

392-83-6
SMILES: FC(F)(F)c1ccccc1Br

化学属性

Mol. FormulaC7H4BrF3
Mol. Weight225.01
Density1.652
Refractive index1.4810 to 1.4840
Flash Point51.7°C
TSCAYes
Boiling Point167.5°C at 760 mmHg
Appearance 水白色或浅黄色液体。沸点167-168℃。
Melting Point149.3°C

别名和识别编码

Chemical Name2-Bromobenzotrifluoride
Synonym 1-Bromo-2-(trifluoromethyl)benzene {LY} 1-Bromo-2-(trifluoromethyl)benzene {} {LY} 1-Bromo-2-(trifluoromethyl)benzene {} {} {LY} 1-Bromo-2-(trifluoromethyl)benzene {} {} {} {LY} 1-Bromo-2-(trifluoromethyl)benzene {} {} {} {} {LY} 1-Bromo-2-(trifluoromethyl)benzene {} {} {} {} {} {LY} 1-Bromo-2-(trifluoromethyl)benzene {} {} {} {} {} {} {LY} 1-Bromo-2-(trifluoromethyl)benzene {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {LY} 1-Bromo-2-(trifluoromethyl)benzene {} {} {} {} {} {} {} {} {LY} 1-Bromo-2-(trifluoromethyl)benzene {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-2-(trifluoromethyl)benzene {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-2-(trifluoromethyl)benzene {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-2-(trifluoromethyl)benzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-2-(trifluoromethyl)benzene {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-2-(trifluoromethyl)benzene {} {} {} {} {} {} {
CAS Number392-83-6
EC Number206-879-9
Beilstein Registry Number1945750
MDL NumberMFCD00000373
PubChem Substance ID87563669
Reaxys-RN1945750
Chemical Name Translation邻溴三氟甲苯
Wiswesser Line NotationFXFFR BE
InChIKeyRWXUNIMBRXGNEP-UHFFFAOYSA-N
LabNetwork Molecule IDLN00220664
InChIInChI=1S/C7H4BrF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
Canonical SMILESFC(C1=CC=CC=C1Br)(F)F
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分类

  • {SNA} Aryl, Building Blocks, C7, Chemical Synthesis, Halogenated Hydrocarbons, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment

相关文献及参考

  • 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
  • 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.

安全信息

Signal word Warning
GHS Symbol
WGK Germany2
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • 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；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S37 Wear suitable gloves 戴适当手套；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R10 Flammable 易燃
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
Precautionary statements
  • 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。
  • P305+P351+P338
  • 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。
  • P332+P313
  • 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。
  • P302+P352
  • P337+P313
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P303+P361+P353
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P403+P235
  • 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。
  • P305+P351+P338+P337+P313
  • P241+P242+P243
  • P233 Keep container tightly closed. ?保持容器密闭。
RTECSXS7980000
Hazard Codes 3
UN Number 1993
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Packing GroupIII
Hazard Class3
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2720 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   28ZPAK "Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku,"
   Marhold, J.V., Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu
   Praha, Czechoslovakia, 1972  Volume(issue)/page/year: -,32,1972

其他信息

  • 邻溴三氟甲苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0663 2-溴三氟甲苯 2-Bromobenzotrifluoride 250G 1100元 2014/06/02 B0663 2-溴三氟甲苯 2-Bromobenzotrifluoride 25G 240元 2010/06/21 106730250 邻溴三氟甲苯 2-Bromobenzotrifluoride 99% 25 GR 341元
  • 用途一:用作染料、医药、农药中间体
  • 储运特性:库房通风低温干燥
  • Hazard Note:Flammable
  • 毒性分级:中毒
  • MOL 文件:392-83-6.mol
  • 可燃性危险特性:热分解排出有毒溴化物和氟化物烟雾
  • 图谱信息:邻溴三氟甲苯(392-83-6)核磁图( 13 CNMR) 邻溴三氟甲苯(392-83-6)Raman光谱 邻溴三氟甲苯(392-83-6)质谱(MS) 邻溴三氟甲苯(392-83-6)红外图谱(IR1) 邻溴三氟甲苯(392-83-6)核磁图( 1 HNMR)
  • 灭火剂:水,干粉、干砂、二氧化碳、泡沫、1211灭火剂
  • 下游产品:2-(三氟甲基)苄溴
  • TCI Shanghai:2-溴三氟甲苯 2-Bromobenzotrifluoride,>;97.0%(GC)(392-83-6)
  • Sigma Aldrich:392-83-6(sigmaaldrich)
  • 急性毒性:口服-大鼠 LD50: 2720 毫克/公斤
  • Alfa Aesar:2-溴苯并三氟甲苯,99% 2-Bromobenzotrifluoride, 99%(392-83-6)
  • 刺激数据:皮肤-兔 500 毫克/24小时 中度; 眼睛-兔 500 毫克/24小时 中度
  • Acros Organics:邻溴三氟甲苯 2-Bromobenzotrifluoride, 99%(392-83-6)
  • MSDS 信息:2-Bromobenzotrifluoride(392-83-6).msds
  • 类别:有毒物品

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. Halogenated Hydrocarbons 卤代烃
  5. Aryl 芳基卤代烃
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Halogenated Hydrocarbons 卤代烃
  5. Aryl 芳基卤代烃
  6. C7 - Aryl
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Halogenated Hydrocarbons 卤代烃
  5. Aryl 芳基卤代烃
  6. C7 - Aryl
  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
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Halogenated Hydrocarbons 卤代烃
  5. Aryl 芳香卤代烃
  6. C6