3-Iodobenzotrifluoride 3-碘三氟甲苯

CAS 401-81-0 MFCD00001049

化学结构图

401-81-0
SMILES: FC(F)(F)c1cccc(I)c1

化学属性

Mol. FormulaC7H4F3I
Mol. Weight272.01
Boiling Point183.7°C at 760 mmHg
TSCAT
Density1.887
Refractive index1.5160 to 1.5190
Flash Point70°C
Melting Point-8°C
Solubility不溶
Stability对光敏感

别名和识别编码

Chemical Name1-iodo-3-(trifluoromethyl)benzene
CAS Number401-81-0
Alfabeta NameIODOBENZOTRIFLUORIDE 3-
MDL NumberMFCD00001049
Synonym 1-Iodo-3-(trifluoromethyl)benzene {LY} 1-Iodo-3-(trifluoromethyl)benzene {} {LY} 1-Iodo-3-(trifluoromethyl)benzene {} {} {LY} 1-Iodo-3-(trifluoromethyl)benzene {} {} {} {LY} 1-Iodo-3-(trifluoromethyl)benzene {} {} {} {} {LY} 1-Iodo-3-(trifluoromethyl)benzene {} {} {} {} {} {LY} 1-Iodo-3-(trifluoromethyl)benzene {} {} {} {} {} {} {LY} 1-Iodo-3-(trifluoromethyl)benzene {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {LY} 1-Iodo-3-(trifluoromethyl)benzene {} {} {} {} {} {} {} {} {LY} 1-Iodo-3-(trifluoromethyl)benzene {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} 1-Iodo-3-(trifluoromethyl)benzene {} {} {} {} {} {} {} {} {} {} {LY} 1-Iodo-3-(trifluoromethyl)benzene {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Iodo-3-(trifluoromethyl)benzene {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Iodo-3-(trifluoromethyl)benzene {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Iodo-3-(trifluoromethyl)benzene {} {} {} {} {} {} {} {} {} {} {}
EC Number206-934-7
Beilstein Registry Number2088596
PubChem Substance ID67868
Chemical Name Translation3-碘三氟甲苯
Reaxys-RN2088596
InChIKeyIGISPMBUGPHLBY-UHFFFAOYSA-N
LabNetwork Molecule IDLN00118958
InChIInChI=1S/C7H4F3I/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H
Canonical SMILESFC(F)(F)C1=CC(I)=CC=C1
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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: 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

Warnings IRRITANT, CORROSIVE
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；
  • S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服；
  • 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
  • R34 Causes burns 会导致灼伤
  • 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。
  • P234 Keep only in original container. 只保留在原来的容器中。
  • 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。
  • P264+P265
  • 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。
  • P301+P330+P331
  • P301+P330+P331+P310
  • P302+P361+P354
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P340
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P310
  • P305+P354+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P316
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P337+P317
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P390 Absorb spillage to prevent material damage. 吸收溢出物，防止重大损害。
  • P403+P233
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P406 Store in corrosive resistant/… container with a resistant inner liner. 存放在耐腐蚀/具有耐性的内衬容器。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H227 Combustible liquid 可燃液体
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • 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
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light Light Sensitive {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect fro
Hazard Codes 8 C
UN Number 3265
Packing GroupII
Hazard Class8

其他信息

  • MOL 文件:401-81-0.mol
  • 图谱信息:3-碘三氟甲苯(401-81-0)红外图谱(IR1) 3-碘三氟甲苯(401-81-0)核磁图( 13 CNMR) 3-碘三氟甲苯(401-81-0)质谱(MS) 3-碘三氟甲苯(401-81-0)核磁图( 1 HNMR)
  • TCI Shanghai:3-碘三氟甲苯(含稳定剂铜屑) 3-Iodobenzotrifluoride (stabilized with Copper chip),>;97.0%(GC)(401-81-0)
  • TSCA:T
  • Alfa Aesar:3-碘三氟甲苯,98+% 3-Iodobenzotrifluoride, 98+%(401-81-0)
  • Hazard Note:Toxic/Irritant
  • Acros Organics:3-碘代三氟甲基苯 3-Iodobenzotrifluoride, 98%(401-81-0)
  • MSDS 信息:1-Iodo-3-(trifluoromethyl)benzene(401-81-0).msds
  • 3-碘三氟甲苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0385 3-碘三氟甲苯(含稳定剂铜屑) 3-Iodobenzotrifluoride (stabilized with Copper chip) 25G 448元 2010/06/21 TL00230EE 3-碘三氟甲苯 1-iodo-3-(trifluoromethyl)benzene 50 GR 420元 2010/06/21 TL00230EA 3-碘三氟甲苯 1-iodo-3-(trifluoromethyl)benzene 10 GR 255元
  • Sigma Aldrich:401-81-0(sigmaaldrich)
  • 敏感性:Light Sensitive

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Fluorinated Building Blocks 氟化物砌块
  4. Organic Fluorinated Building Blocks - Fluorinated Building Blocks
  5. Trifluoromethyl 三氟甲基
  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

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