2,5-Difluoro-4-methylbenzonitrile

Basic Information

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CAS Number

1003708-66-4

Molecular Formula

C8H5F2N

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

216 ºC

Flash Point

84 ºC

SMILES

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N#CC1=CC(F)=C(C)C=C1F

InChI

InChI=1S/C8H5F2N/c1-5-2-8(10)6(4-11)3-7(5)9/h2-3H,1H3

InChIKey

JPNDTPNCYOHHFX-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

184

Synonyms & References

English

2,5-Difluoro-4-methylbenzonitrile
2,5-Difluoro-4-methylbenzonitrle
2,5-Difluoro-4-methyl benzonitrile
Benzonitrile, 2,5-difluoro-4-methyl-
PubChem8341
LF10954
AS05015
VZ22742
AM61262
ST2403713
AB0034359
X8503
2,5-DIFLUORO-4-METHYLBENZENECARBONITRILE
2,5-difluoro-4-methylbenzonitrile

MDL Number

MFCD09996933

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 2,5-Difluoro-4-methylbenzonitrile (CAS: 1003708-66-4)?

2,5-Difluoro-4-methylbenzonitrile (CAS: 1003708-66-4) is a colorless liquid with a low melting point of -31.7°C and a high boiling point of 246.2°C. Its molecular weight is approximately 171.12 g/mol. It has good solubility in organic solvents such as ethanol and acetone but is only slightly soluble in water. This compound is known for its reactivity, particularly towards nucleophilic substitution reactions.

How is 2,5-Difluoro-4-methylbenzonitrile (CAS: 1003708-66-4) typically synthesized?

2,5-Difluoro-4-methylbenzonitrile (CAS: 1003708-66-4) is typically synthesized via the reaction of 2,5-difluoro-4-methylbenzoyl chloride with sodium cyanide in a polar aprotic solvent. The reaction provides a yield of about 85% to 90% with high selectivity. Commonly used solvents include dimethylformamide or acetonitrile, and the reaction is generally carried out under mild conditions.

What industries use 2,5-Difluoro-4-methylbenzonitrile (CAS: 1003708-66-4)?

2,5-Difluoro-4-methylbenzonitrile (CAS: 1003708-66-4) is used in various industries. It is particularly important in the pharmaceutical sector for the synthesis of certain drugs. Additionally, it finds applications in the polymer industry, where it can be used as a monomer. Other applications include its use in the production of sensors and as a precursor in semiconductor manufacturing.

What precautions should be taken when handling 2,5-Difluoro-4-methylbenzonitrile (CAS: 1003708-66-4)?

Handling 2,5-Difluoro-4-methylbenzonitrile (CAS: 1003708-66-4) requires caution due to its chemical properties. Wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. This compound should be stored in a cool, dry place away from direct sunlight and heat sources. In case of spillage, ensure the spill is handled in a fume hood, and immediate steps are taken to clean up using appropriate materials. Always refer to the Safety Data Sheet (SDS) for detailed safety information.