1-(2-Bromo-3-pyridinyl)ethanone

Basic Information

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CAS Number

84199-61-1

Molecular Formula

C7H6BrNO

Molecular Weight

200.03 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Sticky Oil to Semi-Solid

Boiling Point

292.224°C at 760 mmHg

Density

1.552 g/mL at 25 °C

Refractive Index

n20/D 1.572

SMILES

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CC(=O)c1cccnc1Br

InChI

InChI=1S/C7H6BrNO/c1-5(10)6-3-2-4-9-7(6)8/h2-4H,1H3

InChIKey

VYJZSPNXTDPUJW-UHFFFAOYSA-N

LogP

2.0467

Topological Polar Surface Area

29.96 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Safety Information

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GHS Hazard Pictograms

H302

H315

H319

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

3-Acetyl-2-bromopyridine
1-(2-bromopyridin-3-yl)ethanone
1-(2-Bromo-3-pyridinyl)ethanone
3-(2-Bromopyridyl) methyl ketone
1-(2-Bromopyridin-3-yl)ethanone
1-(2-bromopyridin-3-yl)ethan-1-one

MDL Number

MFCD04114370

Customs Code

2933399090

FAQ

What is 1-(2-Bromo-3-pyridinyl)ethanone (CAS: 84199-61-1)?

1-(2-Bromo-3-pyridinyl)ethanone (CAS: 84199-61-1) is an organic compound with the molecular formula C7H5BrNO. It is a colorless to white crystalline solid with a distinctive odor. This compound has a melting point of 95-97°C and a boiling point of around 280°C. It is commonly used in pharmaceuticals and research due to its structural complexity and reactivity.

What are the main uses of 1-(2-Bromo-3-pyridinyl)ethanone (CAS: 84199-61-1)?

1-(2-Bromo-3-pyridinyl)ethanone (CAS: 84199-61-1) is primarily used in the synthesis of pharmaceuticals and as a research tool. It serves as an intermediate in the development of drugs and is also utilized in organic chemistry for its reactivity. This compound is not commonly used in industrial or food applications.

Is 1-(2-Bromo-3-pyridinyl)ethanone (CAS: 84199-61-1) safe?

1-(2-Bromo-3-pyridinyl)ethanone (CAS: 84199-61-1) is classified as a hazardous material due to its bromine content and reactive nature. Proper safety precautions include wearing appropriate personal protective equipment (PPE) such as gloves and goggles. It should be handled in a well-ventilated area and stored away from open flames and strong oxidizers. Accidental exposure may cause skin and eye irritation, and ingestion or inhalation can be harmful.

How should 1-(2-Bromo-3-pyridinyl)ethanone (CAS: 84199-61-1) be stored?

1-(2-Bromo-3-pyridinyl)ethanone (CAS: 84199-61-1) should be stored in a cool, dry place away from direct sunlight and heat sources. Optimal storage conditions include a temperature range of 15-25°C and a relative humidity below 60%. It should be kept in a tightly sealed container made of glass or a suitable plastic to prevent moisture absorption and decomposition. Avoid contact with incompatible materials such as strong acids or bases.