3-[3-(Trifluoromethyl)phenyl]propanal

Basic Information

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CAS Number

21172-41-8

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 Aldehydes

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

207.4°C at 760 mmHg

SMILES

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

InChI

InChI=1S/C10H9F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5-7H,2,4H2

InChIKey

APCCHYPQHODSBD-UHFFFAOYSA-N

LogP

2.836900000000001

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

188

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

Stability

Not very stable, new spot on TLC if kept at r.t. o/n.

Synonyms & References

English

DTXSID00461591
BENZENEPROPANAL, 3-(TRIFLUOROMETHYL)-
CS-B0224
3-(3-trifluoromethylphenyl)propanal
3-(3-TRIFLUOROMETHYLPHENYL)PROPIONALDEHYDE
3-(3-Trifluoromethylphenyl)propanaldehyde
AC-29727
3-[3-(trifluoromethyl)phenyl]-propionaldehyde
3-(Trifluoromethyl)benzenepropanal
3-(3-TRIFLUOROMETHYL-PHENYL)-PROPIONALDEHYDE
J-511026
A4580
SY107576
3-(3-(trifluoromethyl)phenyl)propanal
MFCD07772918
AB42281
AS-18203
AKOS011897726
3-[3-(trifluoromethyl)phenyl]propanal
FT-0675527
BCP04289
EN300-1932868
21172-41-8
AM84735
3-[3-(trifluoromethyl)phenyl]propionaldehyde
SCHEMBL66607
3-[(3-Trifluoromethylphenyl)]propionaldehyde
3-(3-(Trifluoromethyl)phenyl)propanal
3-(3-Trifluoromethylphenyl)propionaldehyde
3-(Trifluoromethyl)b
3-[3-(Trifluoromethyl)Phenyl]Propionaldehyde

MDL Number

MFCD07772918

Customs Code

2913000090

FAQ

What are the physical and chemical properties of 3-[3-(Trifluoromethyl)phenyl]propanal (CAS: 21172-41-8)?

3-[3-(Trifluoromethyl)phenyl]propanal (CAS: 21172-41-8) is a colorless to light yellow liquid with a molecular weight of approximately 226.15 g/mol. It has a high boiling point around 230°C and a low solubility in water. It is reactive, particularly towards nucleophiles due to the presence of the aldehyde group.

How is 3-[3-(Trifluoromethyl)phenyl]propanal (CAS: 21172-41-8) typically synthesized?

3-[3-(Trifluoromethyl)phenyl]propanal (CAS: 21172-41-8) is commonly synthesized through a condensation reaction between 3-(trifluoromethyl)benzaldehyde and propionic acid, using a strong base like sodium hydroxide as a catalyst. The reaction is carried out in an aprotic solvent at room temperature to achieve a high yield and good selectivity.

What industries use 3-[3-(Trifluoromethyl)phenyl]propanal (CAS: 21172-41-8)?

3-[3-(Trifluoromethyl)phenyl]propanal (CAS: 21172-41-8) is used in the pharmaceutical industry for the production of certain drugs, and in the chemical industry for the synthesis of polymers and sensors. It also finds applications in the semiconductor industry due to its electronic properties.

What precautions should be taken when handling 3-[3-(Trifluoromethyl)phenyl]propanal (CAS: 21172-41-8)?

When handling 3-[3-(Trifluoromethyl)phenyl]propanal (CAS: 21172-41-8), it is essential to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood to avoid inhalation of fumes. In case of a spill, immediately clean up with the appropriate absorbent material and ensure proper disposal. Always refer to the Safety Data Sheet (SDS) for detailed safety information.