3-(5-Bromo-3-pyridinyl)-3-oxopropanenitrile

Basic Information

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CAS Number

887594-04-9

Molecular Formula

C8H5BrN2O

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1=C(C=NC=C1Br)C(=O)CC#N

InChI

InChI=1S/C8H5BrN2O/c9-7-3-6(4-11-5-7)8(12)1-2-10/h3-5H,1H2

InChIKey

MIXBXJZVCUVVCI-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

220

Synonyms & References

English

3-(5-Bromopyridin-3-yl)-3-oxopropanenitrile
MFCD06656812
FD6077
887594-04-9
AMY21429
5-Bromo-beta-oxo-3-pyridinepropanenitrile
AKOS027328043
DTXSID10700761
A-oxo-3-Pyridinepropanenitrile
3-(5-BROMO-PYRIDIN-3-YL)-3-OXO-PROPIONITRILE
AS-49284
FT-0604231
CS-0319214
3-(5-Bromo-3-pyridyl)-3-oxopropanenitrile
SY244590
5-bromo-
3-Pyridinepropanenitrile,5-bromo-b-oxo-
3-(5-bromopyridin-3-yl)-3-oxopropanenitrile
3-(5-Bromo-Pyridin-3-Yl)-3-Oxo-Propionitrile

MDL Number

MFCD06656812

FAQ

What is 3-(5-Bromo-3-pyridinyl)-3-oxopropanenitrile (CAS: 887594-04-9)?

3-(5-Bromo-3-pyridinyl)-3-oxopropanenitrile (CAS: 887594-04-9) is an organic compound with a molecular structure characterized by a pyridine ring substituted by a bromine atom and a nitrile group. It is a colorless solid with poor solubility in water but good solubility in organic solvents. This compound is used in the synthesis of other pharmaceuticals and as a precursor in organic chemistry reactions.

What are the main uses of 3-(5-Bromo-3-pyridinyl)-3-oxopropanenitrile (CAS: 887594-04-9)?

3-(5-Bromo-3-pyridinyl)-3-oxopropanenitrile (CAS: 887594-04-9) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of other chemical compounds. It also serves as a research reagent in organic chemistry, aiding in the development of new drugs and materials.

Is 3-(5-Bromo-3-pyridinyl)-3-oxopropanenitrile (CAS: 887594-04-9) safe?

3-(5-Bromo-3-pyridinyl)-3-oxopropanenitrile (CAS: 887594-04-9) is generally considered safe when handled with appropriate precautions. However, it may irritate the skin and eyes, and prolonged exposure should be avoided. Protective measures include wearing gloves, safety glasses, and a laboratory coat. Ensure proper ventilation and avoid inhalation or ingestion.

How should 3-(5-Bromo-3-pyridinyl)-3-oxopropanenitrile (CAS: 887594-04-9) be stored?

3-(5-Bromo-3-pyridinyl)-3-oxopropanenitrile (CAS: 887594-04-9) should be stored in tightly sealed containers to prevent exposure to air and moisture. Store it in a cool, dry place away from direct sunlight and heat sources. Maintain a temperature below 25°C to preserve its stability. Avoid contact with incompatible materials such as strong acids, bases, and reducing agents.