1-[4-(Trifluoromethoxy)phenyl]ethanone

Basic Information

View in Editor

CAS Number

85013-98-5

Molecular Formula

C9H7F3O2

Molecular Weight

204.15 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 Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

47-49℃/15mm

Density

1.278 g/mL at 25 °C

Refractive Index

n20/D 1.455(lit.)

SMILES

View in Editor

CC(=O)c1ccc(cc1)OC(F)(F)F

InChI

InChI=1S/C9H7F3O2/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2-5H,1H3

InChIKey

MOEXTBIPPMLEFX-UHFFFAOYSA-N

LogP

2.7878000000000007

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

205

Safety Information

View Safety Information

Hazard Statement

H227 Combustible liquid
Flammable liquids

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

4'-Trifluoromethoxyacetophenone
4'-(Trifluoromethoxy)acetophenone
1-(4-(Trifluoromethoxy)phenyl)ethanone
1-[4-(trifluoromethoxy)phenyl]ethanone
4 -(Trifluoromethoxy)acetophenone
p-(Trifluoromethoxy)acetophenone
1-[4-(Trifluoromethoxy)phenyl]ethan-1-one

MDL Number

MFCD00042404

FAQ

What are the physical and chemical properties of 1-[4-(Trifluoromethoxy)phenyl]ethanone (CAS: 85013-98-5)?

1-[4-(Trifluoromethoxy)phenyl]ethanone (CAS: 85013-98-5) is a crystalline solid with a molecular weight of approximately 256.1 g/mol. It has low solubility in water but is more soluble in organic solvents like dichloromethane and acetonitrile. Chemically, it is stable at room temperature but can react with strong bases. It shows poor reactivity towards nucleophiles and electrophiles, making it useful in various synthetic applications.

How is 1-[4-(Trifluoromethoxy)phenyl]ethanone (CAS: 85013-98-5) typically synthesized?

1-[4-(Trifluoromethoxy)phenyl]ethanone (CAS: 85013-98-5) is commonly synthesized via a Friedel-Crafts acylation reaction. The process involves the reaction of p-toluidine with trifluoromethoxyacetyl chloride in the presence of aluminum chloride as a catalyst. The reaction yields a high purity product with good selectivity and moderate to high yield.

What industries use 1-[4-(Trifluoromethoxy)phenyl]ethanone (CAS: 85013-98-5)?

1-[4-(Trifluoromethoxy)phenyl]ethanone (CAS: 85013-98-5) is used in the pharmaceutical industry for the synthesis of complex organic molecules and as a precursor in the development of novel drugs. It is also relevant in the polymer industry for the formation of functional materials with enhanced properties. Additionally, it finds applications in the field of sensors and semiconductors for its unique chemical properties.

What precautions should be taken when handling 1-[4-(Trifluoromethoxy)phenyl]ethanone (CAS: 85013-98-5)?

Proper handling of 1-[4-(Trifluoromethoxy)phenyl]ethanone (CAS: 85013-98-5) is essential due to its chemical nature. Always wear appropriate personal protective equipment (PPE) including gloves, goggles, and laboratory coat. Ensure adequate ventilation in the work area, and use a fume hood during handling. Store the compound in a cool, dry, and well-ventilated area away from heat sources and incompatible materials. In case of a spill, consult the Safety Data Sheet (SDS) for appropriate clean-up procedures.