1-[3-(Trifluoromethyl)phenyl]acetone

Basic Information

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CAS Number

21906-39-8

Molecular Formula

C10H9F3O

Molecular Weight

202.17 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

Basic Physical Properties

Boiling Point

89-90 °C/0.5 mmHg

Refractive Index

n20/D 1.457(lit.)

SMILES

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CC(=O)CC1=CC(=CC=C1)C(F)(F)F

InChI

InChI=1S/C10H9F3O/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6H,5H2,1H3

InChIKey

JPHQCDCEBDRIOL-UHFFFAOYSA-N

LogP

2.8369000000000018

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

210

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

3-(Trifluormethyl)phenylacetone
AC-24178
1-[3-(Trifluoromethyl)phenyl]acetone
DTXSID50176320
MFCD00000397
2-Propanone, 1-(.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl)-
Z992965678
[3-(Trifluoromethyl)phenyl]acetone
EN300-160294
W-107514
AKOS009158572
m-Trifluoromethylphenylacetone
1-[3-(Trifluoromethyl)phenyl]acetone #
1-(3-(Trifluoromethyl)phenyl)propan-2-one
TS-02868
1-(alpha,alpha,alpha-Trifluoro-m-tolyl)acetone
1-(3-trifluoromethyl-phenyl)-propan-2-one
1-[3-(trifluoromethyl)phenyl]-propan-2-one
2-Propanone, 1-[3-(trifluoromethyl)phenyl]-
2-Propanone, 1-(alpha,alpha,alpha-trifluoro-m-tolyl)-
m-(Trifluoromethyl)benzyl methyl ketone
SCHEMBL265041
NS00049499
T1693
(3-trifluoromethyl)phenylacetone
3-TRIFLUOROMETHYLPHENYLACETONE
m-(trifluoromethyl)phenylacetone
SY016345
UX2CXD4DHD
EINECS 244-652-6
FT-0613951

MDL Number

MFCD00000397

Customs Code

29147000

FAQ

What is 1-[3-(Trifluoromethyl)phenyl]acetone (CAS: 21906-39-8)?

1-[3-(Trifluoromethyl)phenyl]acetone is an organic compound with the chemical formula C9H6F3CO. It is a colorless liquid with a pungent odor. It is widely used in pharmaceuticals and as a chemical intermediate in the synthesis of various compounds.

What are the main uses of 1-[3-(Trifluoromethyl)phenyl]acetone (CAS: 21906-39-8)?

1-[3-(Trifluoromethyl)phenyl]acetone is primarily used as an intermediate in the pharmaceutical industry for the synthesis of drugs. It is also used in the production of certain agrochemicals and in research for its specific chemical properties.

Is 1-[3-(Trifluoromethyl)phenyl]acetone (CAS: 21906-39-8) safe?

1-[3-(Trifluoromethyl)phenyl]acetone can be safe when handled properly. However, it is important to follow safety precautions, such as wearing appropriate protective gear and ensuring good ventilation. It is corrosive and may cause skin irritation or eye damage if not handled carefully.

How should 1-[3-(Trifluoromethyl)phenyl]acetone (CAS: 21906-39-8) be stored?

1-[3-(Trifluoromethyl)phenyl]acetone should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a sealed, airtight container to prevent moisture and air contamination. Avoid contact with incompatible materials such as strong acids, bases, or oxidizers.