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Merck
CN

T73601

1,2,4-三甲基苯

98%

别名:

偏三甲苯

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关于此项目

线性分子式:
C6H3(CH3)3
化学文摘社编号:
分子量:
120.19
NACRES:
NA.22
PubChem Substance ID:
eCl@ss:
39011403
UNSPSC Code:
12352100
EC Number:
202-436-9
MDL number:
Beilstein/REAXYS Number:
1903005
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产品名称

1,2,4-三甲基苯, 98%

InChI key

GWHJZXXIDMPWGX-UHFFFAOYSA-N

InChI

1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3

SMILES string

Cc1ccc(C)c(C)c1

vapor density

4.1 (vs air)

vapor pressure

4.5 mmHg ( 37.7 °C)

assay

98%

autoignition temp.

959 °F

expl. lim.

6.4 %

refractive index

n20/D 1.504 (lit.)

bp

168 °C (lit.)

mp

−44 °C (lit.)

density

0.876 g/mL at 20 °C (lit.)

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Application

1,2,4-三甲基苯可用作合成以下物质的反应物:
  • 在无溶剂条件下与过氧化邻苯二甲酰进行氧化反应生成2,3,5-三甲基苯醌。      
  • 在Cu和Zn基双功能催化剂存在的情况下进行合成气的甲基化反应生成1,2,4,5-四甲苯。
  • 在存在超强酸CF3SO3H (TfOH)的情况下通过与硝基烯和腈的串联反应生成1,2,4-噁二唑衍生物。

General description

1,2,4-三甲基苯,又称假枯烯,是一种烷基化芳烃,常用于多环芳烃合成。

signalword

Danger

Hazard Classifications

Acute Tox. 4 Inhalation - Aquatic Chronic 2 - Asp. Tox. 1 - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

存储类别

3 - Flammable liquids

wgk

WGK 2

flash_point_f

118.4 °F - closed cup

flash_point_c

48.0 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

法规信息

危险化学品
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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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An efficient synthesis of 2, 3, 5-trimethylbenzoquinone by metal-free oxidation of 1, 2, 4-trimethylbenzene
Yerramreddy TR, et al.
J. Chem. Res. (M), 43(11-12), 565-568 (2019)
Andrei A Golushko et al.
The Journal of organic chemistry, 84(11), 7495-7500 (2019-05-24)
The tandem reaction of nitroalkenes with arenes and nitriles in the superacid CF3SO3H (TfOH) results in the formation of 1,2,4-oxadiazole derivatives in yields up to 96%. This reaction proceeds via the consequent interaction of arenes and nitriles, as nucleophiles, with
Polycyclic aromatic hydrocarbon formation in a flame of the alkylated aromatic trimethylbenzene compared to those of the alkane dodecane
Tirthankar M, et al.
Combustion and Flame, 223, 495-510 (2021)
Synthesis of durene by methylation of 1, 2, 4-trimethylbenzene with syngas over bifunctional CuZnZrO x-HZSM-5 catalysts
Wen D, et al.
Catalysis Science & Technology (2022)
Bruno Bühler et al.
Biotechnology and bioengineering, 82(7), 833-842 (2003-04-18)
Oxygenases catalyze, among other interesting reactions, highly selective hydrocarbon oxyfunctionalizations, which are important in industrial organic synthesis but difficult to achieve by chemical means. Many enzymatic oxygenations have been described, but few of these have been scaled up to industrial

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