ペンタメチルベンゼン(700-12-9)

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ペンタメチルベンゼン 製品概要
化学名:ペンタメチルベンゼン
英語化学名:Pentamethylbenzene
别名:Benzene, 1,2,3,4,5-pentamethyl-;benzene,pentamethyl-;pentamethyl-benzen;Pentmethyl Benzene;Pentamethylbenzene~95%;Pentamethyl phenyl;PENTAMETHYLBENZENE;Pentamethylbenzene,99%
CAS番号:700-12-9
分子式:C11H16
分子量:148.24
EINECS:211-837-8
カテゴリ情報:Building Blocks;Chemical Synthesis;Organic Building Blocks;Arenes;Building Blocks;Organic Building Blocks
Mol File:700-12-9.mol
ペンタメチルベンゼン
ペンタメチルベンゼン 物理性質
融点 49-51 °C (lit.)
沸点 231 °C (lit.)
比重(密度) 0.917 g/mL at 25 °C (lit.)
屈折率 1.5270
闪点 196 °F
貯蔵温度 Sealed in dry,Room Temperature
外見 powder to crystal
White to Almost white
水溶解度 15.52mg/L(temperature not stated)
BRN 1905349
CAS データベース700-12-9(CAS DataBase Reference)
NISTの化学物質情報Benzene, pentamethyl-(700-12-9)
EPAの化学物質情報Benzene, pentamethyl- (700-12-9)
安全性情報
主な危険性 F,Xi
Rフレーズ 11-36/37/38
Sフレーズ 16-26-36
RIDADR UN 1325 4.1/PG 2
WGK Germany 3
TSCA Yes
国連危険物分類 4.1
容器等級 III
HSコード 29029090
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
ペンタメチルベンゼン Usage And Synthesis
外観無色~うすい黄色、固体
化学的特性Pentamethylbenzene is a white to light yellow crystalline powder with a sweet odor. The compound is classified as an aromatic hydrocarbon. It is a relatively easily oxidized benzene derivative, with E1/2 of 1.95 V vs NHE.
使用Pentamethylbenzene was used to prepare a mixture of nitropentamethylbenzene and 2,3,4,5-tetramethylbenzyl nitrate. It was also used to prepare propene.
定義ChEBI: Pentamethylbenzene is a methylbenzene that is benzene in which five of the hydrogens are replaced by methyl groups.
Synthesis Reference(s)Synthesis, p. 979, 1985 DOI: 10.1055/s-1985-31413
合成Pentamethylbenzene is obtained as a minor product in the Friedel–Crafts methylation of xylene to durene (1,2,4,5-tetramethylbenzene). Like durene, pentamethylbenzene is rather electron-rich and undergoes electrophilic substitution readily. Indeed, it is used as a scavenger for carbocations.
Pentamethylbenzene has been observed as an intermediate in the formation of hexamethylbenzene from phenol and alkylation of durene or pentamethylbenzene has been reported as a suitable starting material for the synthesis of hexamethylbenzene.
純化方法Successively crystallise it from absolute EtOH, aqueous EtOH, MeOH, toluene *C6H6, and dry it under vacuum. [Rader & Smith J Am Chem Soc 84 1443 1962.] It has also been sublimed. The 1,3,5-trinitrobenzene complex (1:1) has m 121o (EtOH). [Beilstein 5 H 443, 5 III 1010, 5 IV 1109.]
予防処置Incompatible with oxidizing agents. Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Tags:700-12-9