1-Butylpyridinium bromide

Basic Information

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CAS Number

874-80-6

Molecular Formula

C9H14BrN

Molecular Weight

216.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

102.0 to 106.0 deg-C

Density

0.9630

Water Solubility

almost transparency

SMILES

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CCCC[N+]1=CC=CC=C1.[Br-]

InChI

InChI=1S/C9H14N.BrH/c1-2-3-7-10-8-5-4-6-9-10;/h4-6,8-9H,2-3,7H2,1H3;1H/q+1;/p-1

InChIKey

KVBQNFMTEUEOCD-UHFFFAOYSA-M

LogP

-1.22180

Complexity

74.8

Safety Information

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GHS Hazard Pictograms

H302

H318

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H318 Causes serious eye damage
Serious eye damage/eye irritation

Sensitiveness

Hygroscopic

Synonyms & References

English

1-n-Butylpyridinium bromide
1-Butylpyridinium bromide
Butylpyridinium bromide
N-Butylpyridinium bromide
1-Butylpyridin-1-ium bromide
1-Butylpyridiniumbromide (6CI,7CI)
Pyridinium, 1-butyl-, bromide (8CI,9CI)
Butylpyridiniumbromide
1-Butylpyridinium bromide (6CI, 7CI)
Pyridinium, 1-butyl-, bromide (8CI, 9CI)

MDL Number

MFCD00671496

Customs Code

2933399090

FAQ

What is 1-Butylpyridinium bromide (CAS: 874-80-6)?

1-Butylpyridinium bromide is a quaternary ammonium salt with the chemical formula C10H17BrN. It is a colorless to pale yellow liquid with a characteristic odor, commonly used as a phase transfer catalyst. Its properties include high solubility in organic solvents and a moderate melting point, making it suitable for various chemical applications.

What are the main uses of 1-Butylpyridinium bromide (CAS: 874-80-6)?

1-Butylpyridinium bromide is primarily used as a phase transfer catalyst in organic synthesis, aiding in reactions such as esterifications and oxidations. It is also employed in pharmaceutical and industrial processes, and in research for its ability to facilitate ion transfer between aqueous and organic phases. Its versatility makes it a valuable reagent in chemical manufacturing.

Is 1-Butylpyridinium bromide (CAS: 874-80-6) safe?

1-Butylpyridinium bromide is generally considered safe when handled properly, but it should be treated with caution. It may cause skin and eye irritation, so protective gloves, goggles, and proper ventilation are recommended. Safety standards advise against ingestion and prolonged exposure, and it is classified as a substance with potential toxicity in certain conditions.

How should 1-Butylpyridinium bromide (CAS: 874-80-6) be stored?

1-Butylpyridinium bromide should be stored in a cool, dry, and well-ventilated area, away from light. It is best kept in a sealed container made of glass or high-density polyethylene (HDPE) to prevent contamination and maintain stability. Storage conditions should be below 25°C to avoid degradation and ensure optimal performance.