1-(6-Fluoro-3-pyridinyl)ethanone

Basic Information

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CAS Number

84331-14-6

Molecular Formula

C7H6FNO

Molecular Weight

139.13 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

246.7±20.0 ºC (760 Torr),

Density

1.175±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

103.0±21.8 ºC,

SMILES

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

InChI

InChI=1S/C7H6FNO/c1-5(10)6-2-3-7(8)9-4-6/h2-4H,1H3

InChIKey

BQQPPKSWFCUWCN-UHFFFAOYSA-N

LogP

1.4233

Topological Polar Surface Area

29.96 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

138

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

EN300-300720
5-Acethyl-2-fluoropyridine
AB41115
FT-0725074
AKOS006285606
AC-33407
CS-W003402
MFCD07375076
1-(6-FLUOROPYRIDIN-3-YL)ETHAN-1-ONE
J3.602.427E
SY022263
5-Acetyl-2-fluoropyridine
SCHEMBL2566447
BQQPPKSWFCUWCN-UHFFFAOYSA-N
1-(6-fluoropyridin-3-yl)ethanone
DTXSID90517899
ETHANONE, 1-(6-FLUORO-3-PYRIDINYL)-
1-(6-Fluoro-3-pyridyl)ethanone
Z1198173101
AMY7937
DS-11248
84331-14-6
1-(6-Fluoropyridine-3-yl)ethanone
1-(6-fluoro-3-pyridinyl)-Ethanone
1-(6-Fluoropyridin-3-yl)ethanone
1-(6-Fluoro-3-pyridinyl)ethanone
ETHANONE,1-(6-FLUORO-3-PYRIDINYL)

MDL Number

MFCD07375076

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 1-(6-Fluoro-3-pyridinyl)ethanone (CAS: 84331-14-6)?

1-(6-Fluoro-3-pyridinyl)ethanone (CAS: 84331-14-6) is a crystalline solid with a molecular weight of approximately 182.13 g/mol. It is slightly soluble in water but has good solubility in organic solvents such as ethanol and acetone. Chemically, it is relatively stable under normal conditions but can undergo nucleophilic substitution reactions. It has a melting point around 116-118°C.

How is 1-(6-Fluoro-3-pyridinyl)ethanone (CAS: 84331-14-6) typically synthesized?

1-(6-Fluoro-3-pyridinyl)ethanone (CAS: 84331-14-6) can be synthesized via a one-pot reaction starting from 3-pyridyl ethanone and fluoroform in the presence of a base such as sodium hydroxide. The reaction yields a high purity product with good selectivity and yield, making it a suitable method for industrial production.

What industries use 1-(6-Fluoro-3-pyridinyl)ethanone (CAS: 84331-14-6)?

1-(6-Fluoro-3-pyridinyl)ethanone (CAS: 84331-14-6) is primarily used in the pharmaceutical industry for the synthesis of various APIs and intermediates. It also finds applications in the production of sensors and semiconductors due to its unique electronic properties.

What precautions should be taken when handling 1-(6-Fluoro-3-pyridinyl)ethanone (CAS: 84331-14-6)?

When handling 1-(6-Fluoro-3-pyridinyl)ethanone (CAS: 84331-14-6), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. The compound should be handled in a well-ventilated area or fume hood to avoid inhalation. In case of a spill, it should be cleaned up carefully using absorbent materials and the area should be flushed with water. Always refer to the SDS (Safety Data Sheet) for detailed safety information.