2,4,6-Trimethylbenzonitrile 2,4,6-三甲基苯甲腈

CAS 2571-52-0 MFCD00016378

化学结构图

2571-52-0
SMILES: Cc1cc(C)c(C#N)c(C)c1

化学属性

Mol. FormulaC10H11N
Mol. Weight145.21
Melting Point55°C
TSCANo
Boiling Point260.3±9.0°C at 760 mmHg
Flash Point111 ºC
Density0.97

别名和识别编码

Chemical Name2,4,6-Trimethylbenzonitrile
Synonym 2,4,6-Trimethylbenzonitrile {LY} 2,4,6-Trimethylbenzonitrile {} {LY} 2,4,6-Trimethylbenzonitrile {} {} {LY} 2,4,6-Trimethylbenzonitrile {} {} {} {LY} 2,4,6-Trimethylbenzonitrile {} {} {} {} {LY} 2,4,6-Trimethylbenzonitrile {} {} {} {} {} {LY} 2,4,6-Trimethylbenzonitrile {} {} {} {} {} {} {LY} 2,4,6-Trimethylbenzonitrile {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylbenzonitrile {} {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylbenzonitrile {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylbenzonitrile {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylbenzonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylbenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylbenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylbenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylbenzonitrile {} {} {} {} {} {} {} {} {
MDL NumberMFCD00016378
CAS Number2571-52-0
Beilstein Registry Number2044618
Chemical Name Translation2,4,6-三甲基苯甲腈
InChIKeySNIZBGQMWRHNDY-UHFFFAOYSA-N
LabNetwork Molecule IDLN01314866
PubChem Substance ID137649
InChIInChI=1S/C10H11N/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5H,1-3H3
Canonical SMILESN#CC1=C(C)C=C(C)C=C1C
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment

相关文献及参考

  • Short: III/20a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cl Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20a Year: 1988 Keyword: NQR ISBN: 3-540-18161-X ISBN: 978-3-540-18161-3 Internet Resource: DOI:10.1007/b31153 RefComment: IX,677 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different branches of chemistry. The volumes cover data for more than 8,000 substances in the solid state. Data for free molecules have been published in volumes II/14 and II/15 of the New Series. The tables are arranged according to the atomic number of the elements.
  • Short: III/35B Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Fluorine-19 and Nitrogen-15 Author: Balasubramanian, M.; Gupta, R.R.; Jain, M.; Perumal, S. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35B Year: 1998 ISBN: 3-540-63275-1 ISBN: 978-3-540-63275-7 Internet Resource: DOI:10.1007/b55685 RefComment: VII, 242 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CO-ROM's.

安全信息

Safety Statements
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
  • 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 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • 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；
Packing GroupIII
UN Number 3276 UN3439
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
Hazard Class6.1
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Precautionary statements
  • 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+P312
  • P305+P351+P338
  • P330 Rinse mouth. 漱口
  • P337+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....

其他信息

  • MOL 文件:2571-52-0.mol
  • 图谱信息:2,4,6-三甲基苯甲腈(2571-52-0)质谱(MS) 2,4,6-三甲基苯甲腈(2571-52-0)红外图谱(IR1) 2,4,6-三甲基苯甲腈(2571-52-0)红外图谱(IR2)
  • 2,4,6-三甲基苯甲腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 A11882 2,4,6-三甲基苯甲腈, 98% 2,4,6-Trimethylbenzonitrile, 98% 5g 658元 2010/05/25 A11882 2,4,6-三甲基苯甲腈, 98% 2,4,6-Trimethylbenzonitrile, 98% 25g 2562元 2010/05/25 A11882 2,4,6-三甲基苯甲腈, 98% 2,4,6-Trimethylbenzonitrile, 98% 100g 7938元
  • Alfa Aesar:2,4,6-三甲基苯甲腈,98% 2,4,6-Trimethylbenzonitrile, 98%(2571-52-0)
  • Sigma Aldrich:2571-52-0(sigmaaldrich)

系列性分类

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