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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
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


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