4-Amino-2-fluoro-3-methylbenzonitrile

Basic Information

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CAS Number

757247-93-1

Molecular Formula

C8H7FN2

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

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

SMILES

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

InChI

InChI=1S/C8H7FN2/c1-5-7(11)3-2-6(4-10)8(5)9/h2-3H,11H2,1H3

InChIKey

GTAKXKONKSMWLZ-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

184

Synonyms & References

English

PS-11734
CS-0061149
GTAKXKONKSMWLZ-UHFFFAOYSA-N
757247-93-1
W17036
AKOS027385314
SB76416
4-Amino-2-fluoro-3-methylbenzonitrile
Benzonitrile, 4-amino-2-fluoro-3-methyl- (9CI)
AMY28066
SCHEMBL152108
MFCD18826339
Benzonitrile,4-amino-2-fluoro-3-methyl-

MDL Number

MFCD18826339

FAQ

What are the physical and chemical properties of 4-Amino-2-fluoro-3-methylbenzonitrile (CAS: 757247-93-1)?

4-Amino-2-fluoro-3-methylbenzonitrile is a white crystalline solid with a molecular weight of approximately 202.14 g/mol. It has a low solubility in water but is more soluble in organic solvents. The compound is moderately reactive, showing basic properties due to the amino group and can undergo nucleophilic substitution reactions. It is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight and heat sources. It is not flammable but may pose a skin and eye irritant risk if not handled properly.

How is 4-Amino-2-fluoro-3-methylbenzonitrile (CAS: 757247-93-1) typically synthesized?

4-Amino-2-fluoro-3-methylbenzonitrile is typically synthesized through a multi-step process involving the fluoroamination of 3-methylbenzonitrile with an appropriate amine under mild conditions. The synthesis often employs a catalytic system using palladium-based catalysts, and the product is usually obtained with good selectivity and yield. The specific reaction conditions, such as temperature, pressure, and solvent choice, can vary depending on the synthesis method used.

What industries use 4-Amino-2-fluoro-3-methylbenzonitrile (CAS: 757247-93-1)?

4-Amino-2-fluoro-3-methylbenzonitrile finds applications in the pharmaceutical industry, where it is used as an intermediate in the synthesis of various drug candidates. It also has potential uses in the polymer industry for developing novel materials with specific properties. Additionally, it is used in the preparation of sensors and semiconductors, contributing to the development of advanced materials and technologies.

What precautions should be taken when handling 4-Amino-2-fluoro-3-methylbenzonitrile (CAS: 757247-93-1)?

When handling 4-Amino-2-fluoro-3-methylbenzonitrile, it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and lab coat. It should be handled in a well-ventilated area or under a fume hood to minimize inhalation risk. Spills should be cleaned up carefully using appropriate disposal methods, and the area should be thoroughly washed. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and emergency procedures.