Hexamethylbenzene 六甲基苯

CAS 87-85-4 MFCD00008523

化学结构图

87-85-4
SMILES: Cc1c(C)c(C)c(C)c(C)c1C

化学属性

Mol. FormulaC12H18
Mol. Weight162.27
Density1063.0
Boiling Point264 °C at 760 mmHg
Melting Point164-166 °C
SolubilityInsoluble in water
TSCAYes
Flash Point265°C

别名和识别编码

Chemical NameHexamethylbenzene
CAS Number87-85-4
EC Number201-777-0
Beilstein Registry Number5,450
MDL NumberMFCD00008523
Synonym Hexamethylbenzene {LY} Hexamethylbenzene hexamethylbenzene {} {LY} Hexamethylbenzene {} {} {LY} Hexamethylbenzene {} {} {} {LY} Hexamethylbenzene {} {} {} {} {LY} Hexamethylbenzene {} {} {} {} {} {LY} Hexamethylbenzene {} {} {} {} {} {} {LY} Hexamethylbenzene {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {LY} Hexamethylbenzene {} {} {} {} {} {} {} {} {LY} Hexamethylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexamethylbenzene {} {} {} {} {} {} {} {} {} {} {LY} Hexamethylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexamethylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexamethylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexamethylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexamethylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexamethylbenzene {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID6908
Reaxys-RN1905834
Chemical Name Translation六甲基苯
InChIKeyYUWFEBAXEOLKSG-UHFFFAOYSA-N
Wiswesser Line Notation1R B1 C1 D1 E1 F1
LabNetwork Molecule IDLN00220158
InChIInChI=1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3
Canonical SMILESCC1=C(C)C(C)=C(C)C(C)=C1C
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分类

  • {SNA} Arenes, Building Blocks, Chemical Synthesis, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment

产品应用

  • 用于有机合成。

相关文献及参考

  • Short: II/25D
  • Oxidative rearrangement occurs on treatment with peroxytrifluoroacetic acid (caution! 90% H2O2) and BF3 etherate to give hexamethyl-2,4-cyclohexadienone: J. Am. Chem. Soc., 88, 1005 (1966); Org. Synth. Coll., 5, 598 (1973). Reaction with dimethyldioxirane, on the other hand, gives, as the major product, an unusual oxepane triepoxide: J. Org. Chem., 61, 7660 (1996):
  • Beilstein: 5,IV,1137
  • Short: II/27B

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
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
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。
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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。
  • P302+P352
  • P304+P312
  • P304+P340
  • 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
  • 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）。
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
RTECSDA3200000 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Implant
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1000 mg/kg
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Kidney, Ureter, Bladder - tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   26,105,1966

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 10 mL/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - fibrosis, focal (pneumoconiosis)
   Lungs, Thorax, or Respiration - acute pulmonary edema
   Blood - hemorrhage
REFERENCE :
   AMIHAB AMA Archives of Industrial Health.  (Chicago, IL)  V.11-21, 1955-60.
   For publisher information, see AEHLAU.  Volume(issue)/page/year: 19,403,1959

Hazard statements
  • H312 Harmful in contact with skin 皮肤接触有害
  • H332 Harmful if inhaled 吸入有害
  • H413 Maycauselonglastingharmfuleffectstoaquaticlife 可能对水生生物造成长期持续有害影响。
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

  • 上游原料:二氧化硅
  • Acros Organics:六甲基苯 Hexamethylbenzene, 99+%(87-85-4)
  • 用途一:用于有机合成。
  • 六甲基苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010255 六甲苯 1g 265元 2011/04/16 H0410 六甲基苯(区域精制法精制,熔段数:20) Hexamethylbenzene Zone Refined (number of passes:20) 1SAMPLE 966元 2011/04/16 H0087 六甲基苯 Hexamethylbenzene 5G 532元
  • MSDS 信息:六甲基苯(87-85-4).msds
  • 外观性质:常温下为固体。
  • Sigma Aldrich:87-85-4(sigmaaldrich)
  • TCI Shanghai:六甲基苯(区域精制法精制,熔段数:20) Hexamethylbenzene Zone Refined (number of passes:20),>;99.5%(GC)(87-85-4)
  • 易溶于乙醇和苯，溶于乙醚、丙酮和乙酸，不溶于水。
  • 图谱信息:六甲基苯(87-85-4)Raman光谱 六甲基苯(87-85-4)质谱(MS) 六甲基苯(87-85-4)核磁图( 13 CNMR) 六甲基苯(87-85-4)红外图谱(IR3) 六甲基苯(87-85-4)核磁图( 1 HNMR) 六甲基苯(87-85-4)红外图谱(IR1) 六甲基苯(87-85-4)红外图谱(IR2)
  • 方法一:由苯酚与甲醇在活性氧化铝催化下，于530℃反应制得。将苯酚溶解在甲醇中，滴加到温度至530℃的活性氧化铝上（颗粒状催化剂填装在石英管内，置管式炉中加热），从反应管出口冷却反应生成的气体，收集在接收器中，反应结束后，将接收器中产物滤出，用甲醇洗涤，再经乙醇重结得到六甲苯。
  • MOL 文件:87-85-4.mol
  • Alfa Aesar:六甲基苯,99+% Hexamethylbenzene, 99+%(87-85-4)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Arenes 芳烃
  1. Chemical Synthesis 化学合成
  2. Catalysis and Inorganic Chemistry 催化剂和无机化学
  3. Phosphorus Compounds Catalysis 磷化合物催化剂
  4. Phosphine Ligands 膦配体
  1. Chemical Synthesis 化学合成
  2. Catalysis and Inorganic Chemistry 催化剂和无机化学
  3. 医药合成催化剂

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