3-Fluoro-4-methylaniline 3-氟-4-甲基苯胺

CAS 452-77-7 MFCD00007762

化学结构图

452-77-7
SMILES: Cc1ccc(N)cc1F

化学属性

Mol. FormulaC7H8FN
Mol. Weight125.15
Melting Point30-32°C
Refractive indexn20/D 1.54(lit.)
Density1.093
Flash Point89°C
TSCANo
Boiling Point203.8°C at 760 mmHg
Appearance 淡黄色结晶

别名和识别编码

Chemical Name3-Fluoro-4-methylaniline
CAS Number452-77-7
Alfabeta NameFLUOROMETHYLANILINE 34---
MDL NumberMFCD00007762
Synonym 3-Fluoro-4-methylaniline {LY} 3-Fluoro-4-methylaniline {} {LY} 3-Fluoro-4-methylaniline {} {} {LY} 3-Fluoro-4-methylaniline {} {} {} {LY} 3-Fluoro-4-methylaniline {} {} {} {} {LY} 3-Fluoro-4-methylaniline {} {} {} {} {} {LY} 3-Fluoro-4-methylaniline {} {} {} {} {} {} {LY} 3-Fluoro-4-methylaniline {} {} {} {} {} {} {} {LY} 3-Fluoro-4-methylaniline {} {} {} {} {} {} {} {} {LY} 3-Fluoro-4-methylaniline {} {} {} {} {} {} {} {} {} {LY} 3-Fluoro-4-methylaniline {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluoro-4-methylaniline {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluoro-4-methylaniline {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluoro-4-methylaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluoro-4-methylaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluoro-4-methylaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluoro-4-methylaniline {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID87570204
EC Number207-212-4
Beilstein Registry Number12(4)1981
Reaxys-RN2715987
Chemical Name Translation3-氟-4-甲基苯胺
InChIKeyMGRHBBRSAFPBIN-UHFFFAOYSA-N
Wiswesser Line NotationZR CF D1
LabNetwork Molecule IDLN00116646
InChIInChI=1S/C7H8FN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3
Canonical SMILESNC1=CC=C(C)C(F)=C1
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分类

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

相关文献及参考

  • Beil. 12 ,III,2151
  • Aldrich MSDS 1 , 962:C / Corp MSDS 1 (1), 1710:D / FT-IR 1 (1), 1217:A / FT-IR 2 (2), 2062:D / FT-NMR 1 (2), 497:B / IR-Spectra (2), 643:A / IR-Spectra (3), 729:E / NMR-Reference 2 (1), 1024:C / RegBook 1 (1), 1405:L / Structure Index 1 , 218:C:7 / Vapor Phase 3 , 1135:D
  • 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 co

安全信息

Warnings IRRITANT, TOXIC
GHS Symbol
WGK Germany3
Hazard Codes T,Xi,Xn Xn
Hazard statements
  • H301+H311+H331
  • H312+H332
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H300 Fatal if swallowed 吞食致命
  • H332 Harmful if inhaled 吸入有害
  • H312 Harmful in contact with skin 皮肤接触有害
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSXU6825000
Precautionary statements
  • 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+P330
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P301+P310
  • 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
  • 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。
  • P332+P313
  • P302+P352+P312+P361+P364
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P405 Store locked up. 上锁保管。
  • P305+P351+P338+P337+P313
  • P304+P340+P311
  • P403+P233
  • 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。
Signal word
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;
  • 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;
  • 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;
  • 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);
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
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
  • 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
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入,皮肤接触及吞食都有毒
UN Number UN1759 2811
Packing GroupIII
Hazard Class6.1
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Bird - wild bird species
DOSE/DURATION           : 1300 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   21,315,1972

Storage condition 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 from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • MOL 文件:452-77-7.mol
  • 3-氟-4-甲基苯胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 F0440 3-氟-4-甲基苯胺 3-Fluoro-4-methylaniline 5G 267元 2014/06/02 F0440 3-氟-4-甲基苯胺 3-Fluoro-4-methylaniline 25G 704元 2010/05/25 A14484 3-氟-4-甲基苯胺, 98+% 3-Fluoro-4-methylaniline, 98+% 25g 1025元
  • Hazard Note:Toxic/Irritant
  • 图谱信息:3-氟-4-甲基苯胺(452-77-7)核磁图( 1 HNMR)
  • Sigma Aldrich:452-77-7(sigmaaldrich)
  • TCI Shanghai:3-氟-4-甲基苯胺 3-Fluoro-4-methylaniline,>;98.0%(GC)(452-77-7)
  • Alfa Aesar:3-氟-4-甲基苯胺,98+% 3-Fluoro-4-methylaniline, 98+%(452-77-7)
  • MSDS 信息:3-Fluoro-p-toluidine(452-77-7).msds

系列性分类


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