2-Fluoro-6-(methylamino)benzonitrile

Basic Information

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CAS Number

96783-85-6

Molecular Formula

C8H7FN2

Molecular Weight

139.17 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

SMILES

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CNC1=C(C(=CC=C1)F)C#N

InChI

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

InChIKey

HORADRWTTKWYNT-UHFFFAOYSA-N

LogP

2.17582

Topological Polar Surface Area

12.03 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

172

Synonyms & References

English

2-Fluoro-6-(methylamino)benzonitrile
2-Fluoro-6-(methylamino)benzenecarbonitrile
2-Fluoro-6-MethylaMino-benzonitrile
Benzonitrile,2-fluoro-6-(methylamino)-
2-Fluoro-6-methylaminobenzonitrile
HORADRWTTKWYNT-UHFFFAOYSA-N
SBB086699
4535AF
SY034560
AB0181074
6-fluoro-2-(methylamino)benzenecarbonitrile
2-Fluoro-6-(methylamino)benzonitrile (ACI)
96783-85-6
ND-0716
EN300-1244729
WDA78385
2-fluoro-6-methylamino-benzonitrile
MFCD12193344
2-Cyano-3-fluoro-N-methylaniline
CS-M2832
DTXSID50541635
AKOS005073669
Benzonitrile, 2-fluoro-6-(methylamino)-
SCHEMBL6017719

MDL Number

MFCD12193344

FAQ

What are the physical and chemical properties of 2-Fluoro-6-(methylamino)benzonitrile (CAS: 96783-85-6)?

2-Fluoro-6-(methylamino)benzonitrile is a crystalline solid with a molecular weight of approximately 180.09 g/mol. It has a low water solubility and a moderate solubility in organic solvents such as ethanol and acetone. The compound is moderately reactive, particularly towards nucleophilic reagents. It is not flammable but can react with strong oxidizers.

How is 2-Fluoro-6-(methylamino)benzonitrile (CAS: 96783-85-6) typically synthesized?

2-Fluoro-6-(methylamino)benzonitrile is typically synthesized via a two-step process. First, 2-chloro-6-(methylamino)benzonitrile is treated with a fluoride source such as potassium fluoride in the presence of a base like potassium carbonate to introduce the fluorine atom. The reaction is performed under mild conditions to achieve high selectivity and yield.

What industries use 2-Fluoro-6-(methylamino)benzonitrile (CAS: 96783-85-6)?

2-Fluoro-6-(methylamino)benzonitrile is used in various industries. It is predominantly used in the pharmaceutical industry for the synthesis of certain drugs. Additionally, it finds applications in the polymer industry as a precursor for the preparation of advanced polymers, and in the semiconductor industry for the development of certain materials.

What precautions should be taken when handling 2-Fluoro-6-(methylamino)benzonitrile (CAS: 96783-85-6)?

Precautions when handling 2-Fluoro-6-(methylamino)benzonitrile include wearing appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate methods, and the material safety data sheet (MSDS) should be consulted for detailed information on safe handling and disposal. This compound is not flammable but can react with strong oxidizers, thus proper storage and handling are essential.