1,3,5-trimethyl-2-nitrobenzene 1,3,5-三甲基-2-硝基苯

CAS 603-71-4 MFCD00007170

化学结构图

603-71-4
SMILES: Cc1cc(C)c([N+](=O)[O-])c(C)c1

化学属性

Mol. FormulaC9H11NO2
Mol. Weight165.19
Boiling Point255 °C at 760 mmHg
Melting Point41-44 °C
Flash Point86°(186°F)
TSCAYes
Appearance 浅黄色棱状结晶。熔点44℃，沸点255℃。

别名和识别编码

Chemical Name1,3,5-trimethyl-2-nitrobenzene
Synonym 1,3,5-Trimethyl-2-nitrobenzene {LY} 1,3,5-Trimethyl-2-nitrobenzene {} {LY} 1,3,5-Trimethyl-2-nitrobenzene {} {} {LY} 1,3,5-Trimethyl-2-nitrobenzene {} {} {} {LY} 1,3,5-Trimethyl-2-nitrobenzene {} {} {} {} {LY} 1,3,5-Trimethyl-2-nitrobenzene {} {} {} {} {} {LY} 1,3,5-Trimethyl-2-nitrobenzene {} {} {} {} {} {} {LY} 1,3,5-Trimethyl-2-nitrobenzene {} {} {} {} {} {} {} {LY} 1,3,5-Trimethyl-2-nitrobenzene {} {} {} {} {} {} {} {} {LY} 1,3,5-Trimethyl-2-nitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3,5-Trimethyl-2-nitrobenzene {} {} {} {} {} {} {} {} {} {} {LY} 1,3,5-Trimethyl-2-nitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3,5-Trimethyl-2-nitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3,5-Trimethyl-2-nitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3,5-Trimethyl-2-nitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3,5-Trimethyl-2-nit
MDL NumberMFCD00007170
EC Number210-054-9
CAS Number603-71-4
Beilstein Registry Number1910425
Chemical Name Translation1,3,5-三甲基-2-硝基苯
InChIKeySCEKDQTVGHRSNS-UHFFFAOYSA-N
LabNetwork Molecule IDLN02143731
PubChem Substance ID69051
InChIInChI=1S/C9H11NO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3
Canonical SMILESCC1=CC(=C(C(=C1)C)[N+](=O)[O-])C
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分类

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

相关文献及参考

  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • 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 volume

安全信息

GHS Symbol
WGK Germany3
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。
  • 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
  • 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。
  • 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
  • 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
  • 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.....
Signal word Warning
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • 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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Safety Statements
  • 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；
  • 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；
  • 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；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
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
  • R11 Highly flammable 非常易燃
Packing GroupIII
Hazard Codes F,Xn
Hazard Class4.1
UN Number 1325
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

  • MOL 文件:603-71-4.mol
  • Sigma Aldrich:603-71-4(sigmaaldrich)
  • 用途一:有机合成中间体。
  • 方法一:均三甲苯和乙酐混合，冷却至10℃以下，搅拌下加入发烟硝酸和冰乙酸、乙酐配成的溶液，维持15-20℃进行硝化反应，硝化产物经分离操作，以约75%的收率获得2-硝基均三甲苯。
  • Alfa Aesar:2-硝基三甲基苯,99% 2-Nitromesitylene, 99%(603-71-4)
  • 图谱信息:2-硝基间三甲苯(603-71-4)核磁图( 13 CNMR) 2-硝基间三甲苯(603-71-4)红外图谱(IR2) 2-硝基间三甲苯(603-71-4)质谱(MS) 2-硝基间三甲苯(603-71-4)核磁图( 1 HNMR) 2-硝基间三甲苯(603-71-4)红外图谱(IR1)
  • 上游原料:硝酸 --> 均三甲苯

系列性分类

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