N-(2,6-Dimethylphenyl)acetamide 2,6-二甲基乙酰苯胺

CAS 2198-53-0 MFCD00008675

化学结构图

2198-53-0
SMILES: CC(=O)Nc1c(C)cccc1C

化学属性

Mol. FormulaC10H13NO
Mol. Weight163.22
Density1.052
Melting Point182-184 °C
TSCAYes
Boiling Point282.6°C at 760 mmHg

别名和识别编码

Chemical NameN-(2,6-dimethylphenyl)acetamide
CAS Number2198-53-0
Synonym 2,6-Dimethylacetanilide {LY} 2,6-Dimethylacetanilide {} {LY} 2,6-Dimethylacetanilide {} {} {LY} 2,6-Dimethylacetanilide {} {} {} {LY} 2,6-Dimethylacetanilide {} {} {} {} {} {} {} {} {LY} 2,6-Dimethylacetanilide {} {} {} {} {} {LY} 2,6-Dimethylacetanilide {} {} {} {} {} {} {LY} 2,6-Dimethylacetanilide {} {} {} {} {} {} {} {LY} 2,6-Dimethylacetanilide {} {} {} {} {} {} {} {} {LY} 2,6-Dimethylacetanilide {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethylacetanilide {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethylacetanilide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethylacetanilide {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethylacetanilide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethylacetanilide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethylacetanilide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
MDL NumberMFCD00008675
EC Number218-596-8
Beilstein Registry Number2208750
PubChem Substance ID16616
Chemical Name Translation2,6-二甲基乙酰苯胺
Wiswesser Line Notation1VMR B1 F1
InChIInChI=1S/C10H13NO/c1-7-5-4-6-8(2)10(7)11-9(3)12/h4-6H,1-3H3,(H,11,12)
LabNetwork Molecule IDLN01082296
Canonical SMILESCC1=C(NC(C)=O)C(C)=CC=C1
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分类

  • {SNA} Amides, Building Blocks, C8 to C20+, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
  • {SA} Amides, Building Blocks, C8 to C20+, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
  • Pharmaceuticals
  • Amines
  • Intermediates & Fine Chemicals
  • Aromatics
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; amide; 1fragment

产品应用

  • Lidocaine (L397800) impurity.

相关文献及参考

  • Lepage, F., et al.: Eur. J. Med. Chem., 27, 581 (1992),
  • 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: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source:

安全信息

Signal word Warning
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;
  • 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;
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
  • 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
  • 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。
  • 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+P312
  • P301+P317
  • P302+P352
  • P304+P312
  • P304+P340
  • P305+P351+P338
  • 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。
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P322 Specific measures (see …on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H302+H312+H332
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
RTECSAN7470000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 620 mg/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:
   19,20,1971

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

  • Acros Organics:2',6'-二甲基乙酰苯胺 2',6'-Dimethylacetanilide, 97%(2198-53-0)
  • 储运特性:库房通风低温干燥
  • 上游原料:乙醇 --> 乙酸 --> 乙酐 --> 氢氧化铵 --> 吡啶 --> 2,6-二甲基苯胺
  • 毒性分级:中毒
  • Sigma Aldrich:2198-53-0(sigmaaldrich)
  • 2',6'-二甲基乙酰苯胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 325820250 2',6'-二甲基乙酰苯胺 2',6'-Dimethylacetanilide 97% 25 GR 544元 2010/05/25 B25687 2',6'-二甲基乙酰苯胺, 97% 2',6'-Dimethylacetanilide, 97% 25g 566元 2010/05/25 B25687 2',6'-二甲基乙酰苯胺, 97% 2',6'-Dimethylacetanilide, 97% 100g 1340元
  • 急性毒性:口服-小鼠 LD50: 620 毫克/公斤
  • 下游产品:二甲基均苯三酚
  • 检测方法:HPLC
  • 图谱信息:2',6'-二甲基乙酰苯胺(2198-53-0)红外图谱(IR2) 2',6'-二甲基乙酰苯胺(2198-53-0)红外图谱(IR1) 2',6'-二甲基乙酰苯胺(2198-53-0)质谱(MS)
  • 可燃性危险特性:可燃; 加热分解释放有毒氮氧化物烟雾
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • MOL 文件:2198-53-0.mol
  • Alfa Aesar:2',6'-二甲基乙酰苯胺,97% 2',6'-Dimethylacetanilide, 97%(2198-53-0)
  • 类别:有毒物品

系列性分类


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