o-Fluorotoluene 邻氟代甲苯

CAS 95-52-3 MFCD00000322

化学结构图

95-52-3
SMILES: Cc1ccccc1F

化学属性

Mol. FormulaC7H7F
Mol. Weight110.13
Density1.001
Refractive index1.4720 to 1.4750
Vapor Density3.8 (vs air)
Boiling Point114°C
Vapor Pressure21 mmHg ( 20 °C)
Melting Point-62
Flash Point12°C(lit.)
TSCAYes
Solubility不溶
Appearance colorless liq.

别名和识别编码

Chemical Nameo-Fluorotoluene
CAS Number95-52-3
EC Number202-428-5
Beilstein Registry Number1853362
MDL NumberMFCD00000322
Synonym 2-Fluorotoluene {LY} 2-Fluorotoluene 2-Fluorotoluene 99% 2-Fluortoluol 2-fluoro-toluene 2-fluoromethylbenzene 2-氟甲苯,99+% 2-甲基氟苯 o-Fluoromethylbenzene o-Fluortoluen o-Fluortoluol Benzene,1-fluoro-2-methyl- Toluene, o-fluoro- Toluene,o-fluoro- benzene,2-fluoro-1-methyl- o-Fluorotoluene o-Fluorotoluene,99% ortho-Fluorotoluene {} {LY} 2-Fluorotoluene {} {} {LY} 2-Fluorotoluene {} {} {} {LY} 2-Fluorotoluene {} {} {} {} {} {} {} {} {LY} 2-Fluorotoluene {} {} {} {} {} {} {} {} {} {} {LY} 2-Fluorotoluene {} {} {} {} {} {} {LY} 2-Fluorotoluene {} {} {} {} {} {} {} {LY} 2-Fluorotoluene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Fluorotoluene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-F
PubChem Substance ID87569846
Merck Number14,4180
Reaxys-RN1853362
Chemical Name Translation邻氟代甲苯
LabNetwork Molecule IDLN00222672
InChIInChI=1S/C7H7F/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
Canonical SMILESCC1=CC=CC=C1F
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SNA} Aryl, Aryl Fluorinated Building Blocks, Building Blocks, C7, C7-C8, Chemical Synthesis, Fluorinated Building Blocks, Halogenated Hydrocarbons, Organic Building Blocks, Organic Fluorinated Building Blocks, Other Fluorinated Organic Building Blocks

相关文献及参考

  • Short: II/14a Title: Molecular Constants: Diamagnetic Molecules Author: Demaison, J.; Dubrulle, A.; Hüttner, W.; Tiemann, E. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: II/14a Page: 1-788 Year: 1982 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-11365-7 ISBN: 978-3-540-11365-2 Internet Resource: DOI:10.1007/b19966 RefComment: 196 figs., XI
  • Short: II/6 Title: Molecular Constants from Microwave, Molecular Beam, and Electron Spin Resonance Spectroscopy Author: Demaison, J.; Hüttner, W.; Starck, B.; Buck, I.; Tischer, R.; Winnewisser, M. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: II/6 Year: 1974 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-05977-6 ISBN: 978-3-540-05977-6 Internet Resource: DOI:10.1007/b19951 RefComment: 153 figs., XIII, 688 pages
  • 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

安全信息

Signal word Danger
GHS Symbol
WGK Germany3
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • 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；
  • S33 Take precautionary measures against static discharges 对静电采取预防措施；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
Risk Statements
  • R11 Highly flammable 非常易燃
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R37 Irritating to respiratory system 刺激呼吸道
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。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241+P242+P243
  • 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。
  • 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+P310
  • P301+P312+P330
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+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
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H301 Toxic if swallowed 吞食有毒
  • 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
RTECSXT2579000
Packing GroupII
UN Number 2388
Hazard Codes 3 F;Xi
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Warnings 危化品目录(2015) 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Bird - wild bird species
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AECTCV Archives of Environmental Contamination and Toxicology.
   (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ
   070944)  V.1-    1973-  Volume(issue)/page/year: 12,355,1983

Restrict 危险品

其他信息

  • TCI Shanghai:2-氟甲苯 2-Fluorotoluene,>;99.0%(GC)(95-52-3)
  • 蒸气压:21 mm Hg ( 20 °C)
  • 毒性分级:低毒
  • 灭火剂:干粉, 二氧化碳
  • 一种有效的用于研究蛋白质组学的氟取代甲苯。
  • Hazard Note:Flammable/Irritant
  • Alfa Aesar:2-氟甲苯,99+% 2-Fluorotoluene, 99+%(95-52-3)
  • 蒸气密度:3.8 (vs air)
  • 类别:易燃液体
  • 海关编码:29036990
  • 急性毒性:口服-野鸟 LD50: 100 毫克/公斤
  • 用途一:用作医药、农药中间体
  • MOL 文件:95-52-3.mol
  • 2-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 F0039 2-氟甲苯 2-Fluorotoluene 25ML 202元 2014/06/02 F0039 2-氟甲苯 2-Fluorotoluene 500ML 1480元 2010/06/21 119661000 2-氟甲苯 o-Fluorotoluene 99% 100 GR 353元
  • Sigma Aldrich:95-52-3(sigmaaldrich)
  • 下游产品:邻氟苯甲酰氯
  • MSDS 信息:2-氟甲苯(95-52-3).msds
  • 外观性质:无色液体。
  • 可燃性危险特性:易燃; 受热分解有毒氟化物气体
  • Acros Organics:邻氟代甲苯 o-Fluorotoluene, 99%(95-52-3)
  • 储运特性:库房通风低温干燥; 与氧化剂分开储运存放
  • 图谱信息:2-氟甲苯(95-52-3)核磁图( 13 CNMR) 2-氟甲苯(95-52-3)红外图谱(IR1) 2-氟甲苯(95-52-3)质谱(MS) 2-氟甲苯(95-52-3)Raman光谱

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. Other Fluorinated Organic Building Blocks - Organic Fluorinated Building Blocks
  6. Aryl Fluorinated Building Blocks 芳基氟化物
  7. C7-C8 - Aryl Fluorinated Building Blocks
  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. 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
  1. Organo Fluorine
  2. Fluorine