1-(6-bromopyridin-3-yl)ethan-1-one

Basic Information

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CAS Number

139042-59-4

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

Melting Point

124.0 to 128.0 deg-C

Boiling Point

304.7°Cat760mmHg

Density

1.534

Flash Point

138.1℃

Refractive Index

1.558

SMILES

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CC(=O)C1=CN=C(C=C1)Br

InChI

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

InChIKey

MUKKGHQBUKOMTD-UHFFFAOYSA-N

LogP

2.0466999999999995

Topological Polar Surface Area

29.96 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

138

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

MUKKGHQBUKOMTD-UHFFFAOYSA-N
AC-152
139042-59-4
1-(6-BROMO-PYRIDIN-3-YL)-ETHANONE
2-BROMO-5-ACETYLPYRIDINE
A25568
PS-3776
Ethanone, 1-(6-bromo-3-pyridinyl)-
3-Acetyl-6-bromopyridine
SY007796
5-Acetyl-2-bromopyridine
1-(6-bromo-3-pyridyl)ethanone
1-(6-bromopyridin-3-yl)-ethanone
5-acetyl-2-bromopyridine;1-(6-Bromopyridin-3-yl)ethan-1-one;2-Bromo-5-acetylpyridine
1-(6-bromopyridin-3-yl)ethanone
DTXSID50576604
AM20070122
AB21520
SCHEMBL690853
EN300-100922
HY-60206
FT-0649663
AKOS005258858
5-Acetyl-2-bromopyridine, 97%
Z1269224642
5-acetyl-2-bromo-pyridine
MFCD04974527
CS-W019730
1-(6-bromopyridin-3-yl)ethan-1-one
3-ACETYL-6-BROMOPYRIDINE
1-(6-Bromopyrid-3-yl)ethan-1-one

MDL Number

MFCD04974527

Customs Code

2933399090

FAQ

What regulatory guidelines apply to 1-(6-bromopyridin-3-yl)ethan-1-one (CAS: 139042-59-4)?

1-(6-bromopyridin-3-yl)ethan-1-one (CAS: 139042-59-4) falls under the scope of global chemical regulations such as the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which includes hazards such as flammability and toxicity. In the European Union, it is regulated under REACH, requiring registration and evaluation. For use in the United States, FDA and EPA guidelines apply, focusing on safety data sheets (SDS), handling, and disposal procedures.

Are there alternatives to 1-(6-bromopyridin-3-yl)ethan-1-one in synthesis?

Alternative reagents for synthesizing 1-(6-bromopyridin-3-yl)ethan-1-one include using different aromatic bromides or varying the reaction conditions. For instance, 1-bromo-6-chloropyridin-3-yl ethanone can be used as an analog. Other common alternatives involve using different functional groups or similar aromatic compounds with varied substituents to achieve the desired properties.

What is the market or research trend for 1-(6-bromopyridin-3-yl)ethan-1-one (CAS: 139042-59-4)?

The market for 1-(6-bromopyridin-3-yl)ethan-1-one (CAS: 139042-59-4) is closely tied to its applications in pharmaceuticals and organic synthesis. Research trends indicate increasing interest in its use as a key intermediate in drug development and as a building block for various organic compounds. Market trends suggest a steady demand driven by these industries, with ongoing exploration into its potential for novel chemical syntheses and medical applications.

How should waste containing 1-(6-bromopyridin-3-yl)ethan-1-one (CAS: 139042-59-4) be handled?

Waste containing 1-(6-bromopyridin-3-yl)ethan-1-one (CAS: 139042-59-4) should be managed in accordance with local hazardous waste regulations. It should be collected in leak-proof containers and properly labeled. Disposal should be handled by a certified waste disposal company. Environmental precautions include ensuring no release into the environment and proper incineration or other methods as required by regulations to minimize environmental impact.