5-Fluoro-2-methylpyridine

Basic Information

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CAS Number

31181-53-0

Molecular Formula

C6H6FN

Molecular Weight

111.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

114.7℃ at 760 mmHg

Density

1.077

Flash Point

23.1 °C

Refractive Index

1.477

SMILES

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CC1=NC=C(C=C1)F

InChI

InChI=1S/C6H6FN/c1-5-2-3-6(7)4-8-5/h2-4H,1H3

InChIKey

LXAHHHIGZXPRKQ-UHFFFAOYSA-N

LogP

1.5291199999999998

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

74.9

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

MFCD03095271
CS-W006280
EN300-42353
FT-0653090
AKOS005146144
3-Fluoro-6-picoline
5-Fluoro -2-picoline
5-fluoro-2-picoline
PB18589
5-fluoro-2-methyl-pyridine
AC-5403
FT-0638956
BCP05119
J-517521
PS-9260
DTXSID10376521
AM62404
5-Fluoro-2-methylpyridine (5-Fluoro-2-picoline)
J-018269
PYRIDINE, 5-FLUORO-2-METHYL-
edtadisodium
LXAHHHIGZXPRKQ-UHFFFAOYSA-N
SY003227
31181-53-0
5-fluoro-2-methylpyridine
SCHEMBL424656
A5650
3-fluoro-6-methylpyridine
5-Fluoro-2-methylpyridine
5-Fluoro-2-picoline
3-Fluoro-6-Methyl Pyridine

MDL Number

MFCD03095271

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 5-Fluoro-2-methylpyridine (CAS: 31181-53-0)?

5-Fluoro-2-methylpyridine (CAS: 31181-53-0) is a yellowish-brown crystalline solid with a molecular weight of 133.08 g/mol. It has a low solubility in water but is more soluble in organic solvents such as ethanol and acetone. It exhibits basic properties and is susceptible to reaction with acids. It is not highly reactive under normal conditions but can undergo substitution reactions under specific conditions.

How is 5-Fluoro-2-methylpyridine (CAS: 31181-53-0) typically synthesized?

5-Fluoro-2-methylpyridine is typically synthesized by the reaction of 2-methylpyridine with hydrogen fluoride in the presence of a fluoride source, such as calcium fluoride, under controlled conditions. The reaction yields a high purity product with good selectivity and high yield. The process requires careful control of temperature and reactant ratios to optimize product quality.

What industries use 5-Fluoro-2-methylpyridine (CAS: 31181-53-0)?

5-Fluoro-2-methylpyridine (CAS: 31181-53-0) is primarily used in the pharmaceutical industry for the synthesis of certain drugs, particularly those involving heterocyclic chemistry. It is also used in the polymer industry as an intermediate for the production of certain polymers and in the development of sensors and semiconductors where its substituent groups play a significant role.

What precautions should be taken when handling 5-Fluoro-2-methylpyridine (CAS: 31181-53-0)?

When handling 5-Fluoro-2-methylpyridine (CAS: 31181-53-0), it is important to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be handled with care, using appropriate spill kits, and the area should be thoroughly cleaned. Always refer to the Material Safety Data Sheet (MSDS/SDS) for detailed safety information and emergency procedures.