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Merck
CN

D175404

Sigma-Aldrich

3,4-二甲酚

98%

别名:

4-羟基邻二甲苯

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About This Item

线性分子式:
(CH3)2C6H3OH
CAS号:
分子量:
122.16
Beilstein:
1099267
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22

质量水平

方案

98%

表单

crystals

沸点

227 °C (lit.)

mp

65-68 °C

储存温度

2-8°C

SMILES字符串

Cc1ccc(O)cc1C

InChI

1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3

InChI key

YCOXTKKNXUZSKD-UHFFFAOYSA-N

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应用

Applications of 3,4-dimethylphenol:
  • It can react with ethyl cinnamates in trifluoroacetic acid to form the corresponding dihydrocoumarin derivatives.
  • Bromination of 3,4-dimethylphenol using bromine can lead to 6-bromo-3,4-dimethylphenol.
  • It can react with 1-fluoro-4-chloromethyl-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoro-borate) (Selectfluor® F-TEDA-BF4) to form 4-fluoro-3,4-dimethylcyclohexa-2,5-dienone.

法律信息

Selectfluor is a registered trademark of Merck KGaA, Darmstadt, Germany

警示用语:

Danger

危险分类

Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Aquatic Chronic 2 - Eye Dam. 1 - Skin Corr. 1B

储存分类代码

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

闪点(°F)

230.0 °F - closed cup

闪点(°C)

110 °C - closed cup

个人防护装备

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

法规信息

危险化学品

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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A convenient synthesis of dihydrocoumarins from phenols and cinnamic acid derivatives
Aoki S, et al.
Tetrahedron, 61(39), 9291-9297 (2005)
Synthesis, x-ray structures, conformational fixation, and proton NMR spectroscopic studies.
Andreetti G D, et al.
The Journal of Organic Chemistry, 58(15), 4023-4032 (1993)
Efficient Synthesis of 4-Fluorocyclohexa-2, 5-dienone Derivatives using N-fluoro-1, 4-diazoniabicyclo [2.2. 2] octane Salt Analogues
Stavber S, et al.
Synlett, 1999(09), 1375-1378 (1999)
H Pavel et al.
Journal of bacteriology, 176(24), 7550-7557 (1994-12-01)
The pVI150 catabolic plasmid of Pseudomonas sp. strain CF600 carries the dmp system, which comprises the divergently transcribed dmpR gene and the dmp operon coding for the catabolic enzymes required for growth on (methyl)phenols. The constitutively expressed DmpR transcriptional activator
Yue Qi Ye et al.
Bioorganic & medicinal chemistry letters, 22(7), 2385-2387 (2012-03-14)
Vialinin A (1) is an extremely potent inhibitor against tumor necrosis factor (TNF)-α production in rat basophilic leukemia (RBL-2H3) cells. This Letter describes the design and synthesis of its advanced analog, 5',6'-dimethyl-1,1':4'1″-terphenyl-2',3',4,4″-tetraol (2) with a comparable inhibitory activity (IC(50)=0.02 nM)

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