5-Bromo-4-methylpyridine-2-carbonitrile

Basic Information

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CAS Number

886364-86-9

Molecular Formula

C7H5BrN2

Molecular Weight

17.03 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(=NC=C1Br)C#N

InChI

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

InChIKey

JAQLBGDFALXUMV-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

160

Synonyms & References

English

5-Bromo-4-methylpicolinonitrile
5-bromo-4-methylpyridine-2-carbonitrile
5-Bromo-2-cyano-4-methylpyridine
5-bromo-4-methyl-2-Pyridinecarbonitrile
5-bromo-4-methylpicolinenitrile
5-bromo-4-methyl-pyridine-2-carbonitrile
5-Bromo-4-methyl-2-pyridinecarbonitrile (ACI)
5-Bromo-4-methyl-pyridine-2-carbonitrile
J-517100
MFCD07375090
AB41150
CS-W019687
DB-078045
SCHEMBL153228
AKOS006286089
FS-3207
5-Bromo-4-methylpyridine-2-carbonitrile, AldrichCPR
886364-86-9
DTXSID10694156
SY065579
5-BROMO-4-METHYL-2-PYRIDINECARBONITRILE
5-Bromo-4-methylpyridine-2-carbonitrile
JAQLBGDFALXUMV-UHFFFAOYSA-N

MDL Number

MFCD07375090

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 5-Bromo-4-methylpyridine-2-carbonitrile (CAS: 886364-86-9)?

5-Bromo-4-methylpyridine-2-carbonitrile (CAS: 886364-86-9) is a crystalline solid with a molecular weight of approximately 217.05 g/mol. It has low solubility in water but is soluble in organic solvents like methanol and acetonitrile. Chemically, it is reactive with bases and can undergo nucleophilic substitution reactions. It is also prone to hydrolysis under basic conditions.

How is 5-Bromo-4-methylpyridine-2-carbonitrile (CAS: 886364-86-9) typically synthesized?

5-Bromo-4-methylpyridine-2-carbonitrile is typically synthesized via a nucleophilic substitution reaction. The process involves reacting 4-methylpyridine-2-carbonitrile with bromine in the presence of a Lewis acid catalyst, such as aluminum bromide. The reaction is carried out in an inert solvent, and the yield is generally high, around 80-90%.

What industries use 5-Bromo-4-methylpyridine-2-carbonitrile (CAS: 886364-86-9)?

5-Bromo-4-methylpyridine-2-carbonitrile (CAS: 886364-86-9) is primarily used in the pharmaceutical and polymer industries. It serves as a key intermediate in the synthesis of various drugs and also finds applications as a monomer in the production of certain polymers.

What precautions should be taken when handling 5-Bromo-4-methylpyridine-2-carbonitrile (CAS: 886364-86-9)?

When handling 5-Bromo-4-methylpyridine-2-carbonitrile (CAS: 886364-86-9), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood to avoid inhalation. In case of a spill, immediately clean up using appropriate absorbents and follow proper disposal procedures. Always refer to the Safety Data Sheet (SDS) for detailed safety information.