1-(3-Fluorophenyl)-1-propanone

Basic Information

View in Editor

CAS Number

455-67-4

Molecular Formula

C9H9FO

Molecular Weight

152.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

96°C/5mmHg

Density

1.074

Flash Point

94-96℃/5mm

Refractive Index

1.505

SMILES

View in Editor

CCC(=O)C1=CC(=CC=C1)F

InChI

InChI=1S/C9H9FO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3

InChIKey

RPMOHVRRKYJFSB-UHFFFAOYSA-N

LogP

2.418400000000001

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

145

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1-(3-fluorophenyl)-propan-1-one
3'-Fluoropropiophenone
A826845
3`-Fluoropropiophenone
PS-8915
1-Propanone, 1-(3-fluorophenyl)-
3 inverted exclamation mark -Fluoropropiophenone
EN300-107737
1-(3-fluorophenyl)propan-1-one
CS-W016300
3-Fluoropropiophenone
455-67-4
Ethyl m-fluorophenyl ketone
DTXSID40334578
F0873
AKOS009158512
1-(3-Fluorophenyl)-1-propanone
AC-16607
FT-0615747
AM20040507
MFCD00061245
SCHEMBL633161
SY016989
1-(3-Fluorophenyl)-1-propanone #
3-fluoro-1-phenyl-propan-1-one;1-(3-Fluorophenyl)propan-1-one
Ethyl 3-Fluorophenyl Ketone
3-fluoropropiophenone
3'-FLUOROPROPIOPHENONE
1-(3-fluorophenyl)-1-Propanone
3-Fluoro-1-phenylpropan-1-one
RPMOHVRRKYJFSB-UHFFFAOYSA-N

MDL Number

MFCD00061245

Customs Code

2914700090

FAQ

What are the physical and chemical properties of 1-(3-Fluorophenyl)-1-propanone (CAS: 455-67-4)?

1-(3-Fluorophenyl)-1-propanone (CAS: 455-67-4) is a colorless to light yellow liquid at room temperature. It has a molecular weight of approximately 154.14 g/mol and a boiling point of 156-158°C. Its solubility in water is low, approximately 0.5 g/100 mL. The compound is highly reactive, particularly towards nucleophiles and can undergo various organic reactions such as nucleophilic substitution and condensation reactions.

How is 1-(3-Fluorophenyl)-1-propanone (CAS: 455-67-4) typically synthesized?

1-(3-Fluorophenyl)-1-propanone can be synthesized via the reaction of 3-fluorophenylmagnesium bromide with acetyl chloride in the presence of a base like potassium tert-butoxide. The reaction typically yields a high purity product with good selectivity and a yield of around 70-80%. Catalytic hydrogenation can also be used to generate the corresponding alcohol.

What industries use 1-(3-Fluorophenyl)-1-propanone (CAS: 455-67-4)?

1-(3-Fluorophenyl)-1-propanone (CAS: 455-67-4) is primarily used in the pharmaceutical industry for the synthesis of intermediates and active pharmaceutical ingredients. It also finds applications in the production of certain polymers and as a precursor in the development of organic sensors and materials for semiconductors.

What precautions should be taken when handling 1-(3-Fluorophenyl)-1-propanone (CAS: 455-67-4)?

When handling 1-(3-Fluorophenyl)-1-propanone (CAS: 455-67-4), it is essential to use personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize exposure. Spills should be immediately neutralized and cleaned up using appropriate chemicals. Refer to the Safety Data Sheet (SDS) for detailed information on handling and storage to ensure safe laboratory practices.