2,5-Dimethylterephthalonitrile

Basic Information

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CAS Number

39095-25-5

Molecular Formula

C10H8N2

Molecular Weight

156.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

212 °C

SMILES

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Cc1cc(c(cc1C#N)C)C#N

InChI

InChI=1S/C10H8N2/c1-7-3-10(6-12)8(2)4-9(7)5-11/h3-4H,1-2H3

InChIKey

ZSJIRGBDYMYVDO-UHFFFAOYSA-N

LogP

2.04676

Complexity

224

Synonyms & References

English

2,5-DIMETHYLTEREPHTHALONITRILE
1,4-Dicyan-2,5-dimethylbenzol
2,5-dicyano-p-xylene
2,5-dimethyl-1,4-benzenedicarbonitrile
2,5-dimethyl-1,4-dicyanobenzene
2,5-dimethyl-terephthalonitrile
2,5-dimethylbenzene-1,4-dicarbonitrile
1,4-benzenedicarbonitrile, 2,5-dimethyl-
ZSJIRGBDYMYVDO-UHFFFAOYSA-N
FCH918139
SBB087162
SB01018
ZB010820
AK388787
D2218
X4566
10.14272/ZSJIRGBDYMYVDO-UHFFFAOYS
10.14272/ZSJIRGBDYMYVDO-UHFFFAOYSA-N.1
doi:10.14272/Z

MDL Number

MFCD00191411

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 2,5-Dimethylterephthalonitrile (CAS: 39095-25-5)?

2,5-Dimethylterephthalonitrile is a solid with a crystalline form. Its molecular weight is approximately 235.16 g/mol. It is sparingly soluble in water but soluble in organic solvents like chloroform and dichloromethane. It is reactive towards nucleophiles and can undergo substitution reactions. It also exhibits some stability towards thermal degradation.

How is 2,5-Dimethylterephthalonitrile (CAS: 39095-25-5) typically synthesized?

2,5-Dimethylterephthalonitrile is typically synthesized through the reaction of terephthaloyl chloride with methylamine in the presence of a base, such as triethylamine. This process yields a high selectivity and good yield, with the use of appropriate conditions like temperature and pressure.

What industries use 2,5-Dimethylterephthalonitrile (CAS: 39095-25-5)?

2,5-Dimethylterephthalonitrile is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the polymer industry as a monomer for producing specialty polymers. Some applications include the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 2,5-Dimethylterephthalonitrile (CAS: 39095-25-5)?

When handling 2,5-Dimethylterephthalonitrile, it is crucial to use personal protective equipment (PPE) including gloves, goggles, and a lab coat. Store it in a fume hood to minimize exposure. In case of a spill, immediately clean up using appropriate absorbent materials and consult the Safety Data Sheet (SDS) for detailed instructions. Ensure the area is well-ventilated and follow all laboratory safety protocols.