2-Bromo-4,6-diphenylnicotinonitrile

Basic Information

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CAS Number

82127-26-2

Molecular Formula

C18H11BrN2

Molecular Weight

335.2 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

Density

1.48

SMILES

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C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)Br)C3=CC=CC=C3

InChI

InChI=1S/C18H11BrN2/c19-18-16(12-20)15(13-7-3-1-4-8-13)11-17(21-18)14-9-5-2-6-10-14/h1-11H

InChIKey

MHQOWNRJNSJRED-UHFFFAOYSA-N

Complexity

376

Synonyms & References

English

CHEMBL1430051
2-Bromo-4,6-diphenylnicotinonitrile
2-bromo-3-cyano-4,6-diphenylpyridine
SR-01000508051
82127-26-2
HMS2576C06
CS-0326345
2-Bromo-4,6-diphenyl-nicotinonitrile
2-bromo-4,6-diphenylpyridine-3-carbonitrile
AKOS000675163
A864453
SR-01000508051-1
SMR000175530
MLS000561403
3-Pyridinecarbonitrile, 2-bromo-4,6-diphenyl-;
DTXSID80355949
3-Pyridinecarbonitrile, 2-bromo-4,6-diphenyl-
2-BROMO-4,6-DIPHENYLNICOTINONITRILE
2-Bromo-4-6-diphenylnicotinonitrile

MDL Number

MFCD00418222

FAQ

What are the physical and chemical properties of 2-Bromo-4,6-diphenylnicotinonitrile (CAS: 82127-26-2)?

2-Bromo-4,6-diphenylnicotinonitrile is a crystalline solid with a molecular weight of approximately 427.24 g/mol. It is slightly soluble in water but readily soluble in organic solvents like ethanol and acetone. Chemically, it is stable under normal conditions but reacts with reducing agents. It has a pKa of about 13.5 and can be used as a functional group in organic synthesis.

How is 2-Bromo-4,6-diphenylnicotinonitrile (CAS: 82127-26-2) typically synthesized?

2-Bromo-4,6-diphenylnicotinonitrile is typically synthesized via a reaction between 4,6-diphenylnicotinonitrile and bromine in the presence of a catalyst such as iron(III) bromide. The reaction is carried out in an inert solvent like dichloromethane. The yield is generally around 70-80%, and the reaction is selective for the bromination of the available sites.

What industries use 2-Bromo-4,6-diphenylnicotinonitrile (CAS: 82127-26-2)?

2-Bromo-4,6-diphenylnicotinonitrile finds applications in pharmaceuticals, where it is used as an intermediate in the synthesis of various drugs. It is also used in the production of sensors and semiconductors due to its electronic properties. Additionally, it can be utilized in the development of polymers and as a reagent in organic chemistry.

What precautions should be taken when handling 2-Bromo-4,6-diphenylnicotinonitrile (CAS: 82127-26-2)?

When handling 2-Bromo-4,6-diphenylnicotinonitrile, it is essential to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up with care, using appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for specific guidelines and emergency procedures.