3-Bromo-4-methoxypyridine

Basic Information

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CAS Number

82257-09-8

Molecular Formula

C6H6BrNO

Molecular Weight

188.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

214.5±20.0 ºC (760 Torr),

Density

1.530±0.06 g/cm3 (20 ºC 760 Torr),

Water Solubility

Slightly soluble in water (9.8 g/L).

Flash Point

83.5±21.8 ºC,

Refractive Index

1.542

SMILES

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COc1ccncc1Br

InChI

InChI=1S/C6H6BrNO/c1-9-6-2-3-8-4-5(6)7/h2-4H,1H3

InChIKey

DSFJKFHIMBVWAV-UHFFFAOYSA-N

LogP

1.8527

Topological Polar Surface Area

22.12 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

89.1

Synonyms & References

English

3-Bromo-4-methoxypyridine
3-BROMO-4-METHOXY-PYRIDINE
C6H6BrNO
Pyridine,3-bromo-4-methoxy-
pyridine, 3-bromo-4-methoxy-
PubChem6686
BCP22130
RW3667
AS04703
AB22230
VP14492
3-bromo-4-methoxy-pyridine, AldrichCPR
SY039028
BC003182
AB0026859
AM20061525
W8611
Pyridine,3-broMo-4-Methoxy-3-Bromo-
3-bromo-4-methoxypyridine

MDL Number

MFCD05664024

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 3-Bromo-4-methoxypyridine (CAS: 82257-09-8)?

3-Bromo-4-methoxypyridine (CAS: 82257-09-8) is a crystalline solid with a molecular weight of 220.01 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. It is chemically reactive, particularly towards nucleophiles due to the presence of the methoxy and bromine substituents.

How is 3-Bromo-4-methoxypyridine (CAS: 82257-09-8) typically synthesized?

3-Bromo-4-methoxypyridine is typically synthesized via a multistep process involving bromination of 4-methoxypyridine followed by an acylation step. Common reagents include N-bromosuccinimide (NBS) for bromination and acetic anhydride for acylation. The process requires careful control of reaction conditions to achieve high yield and selectivity.

What industries use 3-Bromo-4-methoxypyridine (CAS: 82257-09-8)?

3-Bromo-4-methoxypyridine is used in the pharmaceutical industry for the synthesis of drugs, particularly those targeting various metabolic pathways. It is also used in the production of dyes and pigments in the chemical industry. Additionally, it finds applications in the production of semiconductor materials and as a precursor in polymer synthesis.

What precautions should be taken when handling 3-Bromo-4-methoxypyridine (CAS: 82257-09-8)?

When handling 3-Bromo-4-methoxypyridine (CAS: 82257-09-8), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be handled in a fume hood due to its volatility and potential for inhalation. Spills should be cleaned up with care, using absorbent material, and the area should be ventilated. Always refer to the Safety Data Sheet (SDS) for detailed safety information.