2-Chloro-3-methylpyridine 1-oxide

Basic Information

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CAS Number

91668-83-6

Molecular Formula

C6H6ClNO

Molecular Weight

143.57 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC1=C([N+](=CC=C1)[O-])Cl

InChI

InChI=1S/C6H6ClNO/c1-5-3-2-4-8(9)6(5)7/h2-4H,1H3

InChIKey

ZGHMADNNOPPAJO-UHFFFAOYSA-N

LogP

2.07690

Complexity

99.1

Synonyms & References

English

DTXSID70540605
ZGHMADNNOPPAJO-UHFFFAOYSA-N
2-Chloro-3-methyl-1-oxo-1lambda~5~-pyridine
A860273
AKOS006334775
2-chloro-3 -methylpyridine N-oxide
2-Chloro-3-methylpyridine1-oxide
MFCD14582951
2-chloro-3-methyl-1-oxidopyridin-1-ium
2-CHLORO-3-METHYLPYRIDIN-1-IUM-1-OLATE
AB8904
EN300-1440253
AMY6227
SCHEMBL2175556
BS-22354
2-chloro-3-methylpyridine N-oxide
91668-83-6
2-Chloro-3-Methylpyridine-N-Oxide
2-Chloro-3-methylpyridine 1-oxide
Pyridine, 2-chloro-3-methyl-, 1-oxide
2-chloro-3-methylpyridine N-oxide

MDL Number

MFCD14582951

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2-Chloro-3-methylpyridine 1-oxide (CAS: 91668-83-6)?

2-Chloro-3-methylpyridine 1-oxide (CAS: 91668-83-6) is a crystalline solid with a molecular weight of approximately 182.6 g/mol. It has a melting point of around 125-127°C and is sparingly soluble in water but more soluble in organic solvents like ethanol and dichloromethane. This compound is moderately reactive with nucleophiles and can undergo substitution reactions.

How is 2-Chloro-3-methylpyridine 1-oxide (CAS: 91668-83-6) typically synthesized?

2-Chloro-3-methylpyridine 1-oxide (CAS: 91668-83-6) is typically synthesized through the chlorination of 3-methylpyridine followed by oxidation. Commonly, this involves the use of chlorine gas in the presence of a suitable catalyst, such as iron chloride, and subsequent oxidation often employs peroxy compounds or air oxidation. The reaction yield is generally good, and the product can be isolated through recrystallization.

What industries use 2-Chloro-3-methylpyridine 1-oxide (CAS: 91668-83-6)?

2-Chloro-3-methylpyridine 1-oxide (CAS: 91668-83-6) is used in various industries, including pharmaceuticals, where it serves as a precursor for the synthesis of certain drugs. It also finds applications in the production of organic semiconductors and as a chemical intermediate in the development of sensors and polymers.

What precautions should be taken when handling 2-Chloro-3-methylpyridine 1-oxide (CAS: 91668-83-6)?

When handling 2-Chloro-3-methylpyridine 1-oxide (CAS: 91668-83-6), it is crucial to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Ensure to work in a well-ventilated area or a fume hood. Spills should be cleaned up with absorbent material and disposed of according to local hazardous waste regulations. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.