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2,5-Cyclohexadiene-1,4-dione, 2-(3,4-dimethylphenyl)(9CI), also known as RJK80348, is a chemical compound with the molecular formula C14H14O2. This yellow crystalline solid is recognized for its versatile reactivity and potential medicinal properties. It is known to possess antioxidant and anti-inflammatory properties, which make it a promising candidate for the development of new pharmaceutical drugs. However, due to its potential irritant and toxic properties, it is crucial to handle this chemical with appropriate safety measures.

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  • 627889-76-3 Structure
  • Basic information

    1. Product Name: 2,5-Cyclohexadiene-1,4-dione, 2-(3,4-dimethylphenyl)- (9CI)
    2. Synonyms: 2,5-Cyclohexadiene-1,4-dione, 2-(3,4-dimethylphenyl)- (9CI);2-(3,4-Dimethyl-phenyl)-[1,4]benzoquinone
    3. CAS NO:627889-76-3
    4. Molecular Formula: C14H12O2
    5. Molecular Weight: 212.24388
    6. EINECS: N/A
    7. Product Categories: ALCOHOL
    8. Mol File: 627889-76-3.mol
  • Chemical Properties

    1. Melting Point: 145-150 °C
    2. Boiling Point: 365.4±42.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.174±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 2,5-Cyclohexadiene-1,4-dione, 2-(3,4-dimethylphenyl)- (9CI)(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2,5-Cyclohexadiene-1,4-dione, 2-(3,4-dimethylphenyl)- (9CI)(627889-76-3)
    11. EPA Substance Registry System: 2,5-Cyclohexadiene-1,4-dione, 2-(3,4-dimethylphenyl)- (9CI)(627889-76-3)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 627889-76-3(Hazardous Substances Data)

627889-76-3 Usage

Uses

Used in Pharmaceutical Research:
2,5-Cyclohexadiene-1,4-dione, 2-(3,4-dimethylphenyl)(9CI) is used as a research compound for its potential medicinal properties in the pharmaceutical industry. Its antioxidant and anti-inflammatory properties make it a valuable candidate for the development of new drugs that could address various health conditions.
Used in Organic Synthesis:
In the field of organic synthesis, 2,5-Cyclohexadiene-1,4-dione, 2-(3,4-dimethylphenyl)(9CI) is utilized as a key intermediate or building block in the synthesis of more complex organic molecules. Its versatile reactivity allows for the creation of a wide range of chemical products, including pharmaceuticals, agrochemicals, and specialty chemicals.

Check Digit Verification of cas no

The CAS Registry Mumber 627889-76-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,2,7,8,8 and 9 respectively; the second part has 2 digits, 7 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 627889-76:
(8*6)+(7*2)+(6*7)+(5*8)+(4*8)+(3*9)+(2*7)+(1*6)=223
223 % 10 = 3
So 627889-76-3 is a valid CAS Registry Number.

627889-76-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(3,4-dimethylphenyl)-1,4-benzoquinone

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:627889-76-3 SDS

627889-76-3Downstream Products

627889-76-3Relevant articles and documents

Cross-linked hydroxide conductive membranes with side chains for direct methanol fuel cell applications

Xu, Shuai,Zhang, Gang,Zhang, Yang,Zhao, Chengji,Zhang, Liyuan,Li, Mingyu,Wang, Jing,Zhang, Na,Na, Hui

, p. 13295 - 13302 (2012)

A series of novel poly(ether ether ketone) copolymers containing methyl groups on the side chain were prepared based on a new monomer (3,4-dimethyl)phenylhydroquinone. Then a series of hydroxide exchange membranes with different IEC values were obtained through bromination and quaternary amination of the copolymers. By adjusting the contents of methyl groups in the copolymers, we could control the final structures of the membranes. The chemical structures of the monomers and copolymers were analyzed by 1H NMR spectroscopy. After that, for the purpose of enhancing the dimensional stability and methanol resistance of the membrane, we prepared cross-linked membranes through a Friedel-Crafts reaction between bromomethyl groups and aromatic rings. The properties of the membranes related to fuel cell application were evaluated in detail. All the membranes showed good thermal and mechanical stabilities and conductivities. Moreover, the cross-linked membranes exhibit better dimensional stabilities and selectivities. Among those membranes, xPEEK-Q-100 showed a high conductivity (0.036 S cm-1 at 80 °C), a low swelling ratio of 6.6% and a methanol permeation coefficient of 2.9 × 10-7 cm2 s-1. The outstanding properties indicated that the application of PEEK-Q-xx membranes in fuel cells was promising.

Practical C-H functionalization of quinones with boronic acids

Fujiwara, Yuta,Domingo, Victoriano,Seiple, Ian B.,Gianatassio, Ryan,Del Bel, Matthew,Baran, Phil S.

supporting information; experimental part, p. 3292 - 3295 (2011/05/03)

A direct functionalization of a variety of quinones with several boronic acids has been developed. This scalable reaction proceeds readily at room temperature in an open flask using inexpensive reagents: catalytic silver(I) nitrate in the presence of a persulfate co-oxidant. The scope with respect to quinones is broad, with a variety of alkyl- and arylboronic acids undergoing efficient cross-coupling. The mechanism is presumed to proceed through a nucleophilic radical addition to the quinone with in situ reoxidation of the resulting dihydroquinone. This method has been applied to complex substrates, including a steroid derivative and a farnesyl natural product.

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