1-[3-(Trifluoromethyl)phenyl]ethanone

Basic Information

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CAS Number

349-76-8

Molecular Formula

C9H7F3O

Molecular Weight

188.15 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

198-200 °C

Refractive Index

n20/D 1.4611(lit.)

SMILES

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

InChI

InChI=1S/C9H7F3O/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-5H,1H3

InChIKey

ABXGMGUHGLQMAW-UHFFFAOYSA-N

LogP

2.9080000000000013

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

198

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1-[5-(Trifluoromethyl)phenyl]ethanone
PS-8443
NSC81888
3-Trifludromethylacetophenone
NSC 59177
M-TRIFLUOROMETHYLPHENYL METHYL KETONE
3-CF3-C6H4-COCH3
A20054
EN300-20406
Q27277291
T1546
UNII-EQ30608V1H
A20062
NSC59177
AC-3629
3-Trifluoromethylacetophenone
3'-trifluoromethyl-acetophenone
3-Acetylbenzotrifluoride
Ethanone, 1-(3-(trifluoromethyl)phenyl)-
MFCD0000391
EC 206-490-4
AKOS000119540
3-(trifluoromethyl)acetophenone
SY002281
1-[3-(Trifluoromethyl)phenyl]ethanone #
InChI=1/C9H7F3O/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-5H,1H
3'-trifluoromethylacetophenone
DTXSID3059844
3'-(Trifluoromethyl)acetophenone, 99%
349-76-8
Ethanone, 1-[3-(trifluoromethyl)phenyl]-

MDL Number

MFCD00000391

Customs Code

29147090

FAQ

What is 1-[3-(Trifluoromethyl)phenyl]ethanone (CAS: 349-76-8)?

1-[3-(Trifluoromethyl)phenyl]ethanone is an organic compound with the chemical formula C10H8F3O. It is a ketone derivative containing a trifluoromethyl group on a phenyl ring. This compound is known for its stability and is commonly used in chemical synthesis. Its molecular structure makes it a valuable intermediate in the production of various pharmaceutical and industrial compounds.

What are the main uses of 1-[3-(Trifluoromethyl)phenyl]ethanone (CAS: 349-76-8)?

1-[3-(Trifluoromethyl)phenyl]ethanone is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in the synthesis of agrochemicals and specialty chemicals. Due to its unique chemical properties, it is utilized in organic chemistry for creating derivatives with enhanced biological activity and functional group versatility.

Is 1-[3-(Trifluoromethyl)phenyl]ethanone (CAS: 349-76-8) safe?

1-[3-(Trifluoromethyl)phenyl]ethanone is generally considered safe when handled properly. However, it should be treated with caution as it can be harmful if inhaled, ingested, or comes into contact with skin. Safety protocols include using personal protective equipment and ensuring proper ventilation. It is classified as a potential irritant and should be stored and handled according to standard chemical safety guidelines.

How should 1-[3-(Trifluoromethyl)phenyl]ethanone (CAS: 349-76-8) be stored?

1-[3-(Trifluoromethyl)phenyl]ethanone should be stored in a cool, dry, and well-ventilated area away from light. It is best kept in a sealed container at a temperature below 25°C. Avoid exposure to moisture and incompatible substances. Proper storage ensures its stability and safety during handling and transportation.