4-Bromo-6-methylpyridine-2-carbonitrile

Basic Information

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CAS Number

886372-53-8

Molecular Formula

C7H5BrN2

Molecular Weight

197.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC1=CC(=CC(=N1)C#N)Br

InChI

InChI=1S/C7H5BrN2/c1-5-2-6(8)3-7(4-9)10-5/h2-3H,1H3

InChIKey

FCVFYONLGQTBRO-UHFFFAOYSA-N

LogP

2.02418

Complexity

160

Synonyms & References

English

4-bromo-6-methylpicolinonitrile
4-bromo-6-methylpyridine-2-carbonitrile
4-Bromo-2-cyano-6-methylpyridine
QC-7472
4-Bromo-6-methyl-2-pyridinecarbonitrile (ACI)
SY200875
P17802
DB-082670
CS-0050976
DTXSID90704489
BBL103383
AKOS006286808
AS-54362
SCHEMBL1795983
STL557193
4-Bromo-6-methylpyridine-2-carbonitrile, 95%
AB40796
886372-53-8
MFCD07374949
4-BROMO-6-METHYLPYRIDINE-2-CARBONITRILE
4-Bromo-6-methyl-pyridine-2-carbonitrile
FCVFYONLGQTBRO-UHFFFAOYSA-N
EN300-208919

MDL Number

MFCD07374949

FAQ

What are the physical and chemical properties of 4-Bromo-6-methylpyridine-2-carbonitrile (CAS: 886372-53-8)?

4-Bromo-6-methylpyridine-2-carbonitrile is a crystalline solid with a molecular weight of approximately 232.04 g/mol. It is slightly soluble in water but more soluble in organic solvents like methanol, ethanol, and dimethylformamide. Chemically, it is less reactive towards strong bases and acids, but can undergo nucleophilic substitution reactions under appropriate conditions. It has a melting point of around 125-127°C and exhibits a faintly aromatic odor.

How is 4-Bromo-6-methylpyridine-2-carbonitrile (CAS: 886372-53-8) typically synthesized?

4-Bromo-6-methylpyridine-2-carbonitrile is commonly synthesized via a multi-step process starting from 6-methylpyridine-2-carbonitrile. The bromination of the nitrogen atom is usually achieved using N-bromosuccinimide (NBS) in the presence of a radical initiator like benzoyl peroxide. The reaction is carried out in an inert solvent such as dichloromethane, and the product is typically obtained in good to high yield with high selectivity.

What industries use 4-Bromo-6-methylpyridine-2-carbonitrile (CAS: 886372-53-8)?

4-Bromo-6-methylpyridine-2-carbonitrile finds applications in various industries. It is used as a key intermediate in the synthesis of pharmaceutical compounds, particularly in the production of antiviral and antitumor drugs. Additionally, it is employed in the development of sensors and semiconductors due to its unique electronic properties. Its role in polymer chemistry is also notable, where it serves as a functional monomer for the synthesis of advanced materials.

What precautions should be taken when handling 4-Bromo-6-methylpyridine-2-carbonitrile (CAS: 886372-53-8)?

When handling 4-Bromo-6-methylpyridine-2-carbonitrile, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. In case of a spill, immediately stop work, evacuate the area, and clean up using appropriate absorbent materials. Always consult the Material Safety Data Sheet (MSDS) for detailed safety guidelines and emergency procedures.