3-(Trifluoromethyl)benzaldehyde

Basic Information

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CAS Number

454-89-7

Molecular Formula

C8H5F3O

Molecular Weight

174.12 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

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

66°C/10mmHg

Refractive Index

n20/D 1.465(lit.)

Vapor Pressure

1.1±0.3 mmHg at 25°C

SMILES

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

InChI

InChI=1S/C8H5F3O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-5H

InChIKey

NMTUHPSKJJYGML-UHFFFAOYSA-N

LogP

2.5179

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

164

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

H400

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

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Air Sensitive

Synonyms & References

English

InChI=1/C8H5F3O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-5
MFCD00003373
a,a,a-trifluoro-m-tolualdehyde
PD196067
454-89-7
A7162
3-(Trifluoromethyl)benzaldehyde
m-Trifluoromethylbenzaldehyde
AC-3866
Benzaldehyde, 3-(trifluoromethyl)-
3-(trifluoromethyl) benzaldehyde
alpha, alpha, alpha-Trifluoro-m-tolualdehyde
SCHEMBL67201
3- (trifluoromethyl)benzaldehyde
FT-0613919
meta-trifluoromethylbenzaldehyde
3-(TRIFLUOROMETHYL)PHENYLCARBOXALDEHYDE
m-trifluoromethylbezaldehyde
PS-8632
3-(Trifluoromethyl)benzaldehyde, 97%
T1399
3-(trifluoromethyl)-benzaldehyde
AT7H4H5U3E
HY-76574
m-(trifluoromethyl) benzaldehyde
3-trifluoromethy-benzaldehyde
.alpha. .alpha. .alpha.-Trifluoro-m-tolualdehyde
Q27274112
m-trifluoromethyl benzaldehyde
alpha,alpha,alpha-Trifluoro-3-tolualdehyde
3-Trifluoromethyl benzaldehyde

MDL Number

MFCD00003373

Customs Code

2913000090

FAQ

What is 3-(Trifluoromethyl)benzaldehyde (CAS: 454-89-7)?

3-(Trifluoromethyl)benzaldehyde (CAS: 454-89-7) is an organic compound with the molecular formula C8H6CF3O. It features a benzene ring substituted with a trifluoromethyl group at the third carbon and an aldehyde functional group. This compound is a colorless liquid with a characteristic aromatic odor, known for its stability and reactivity in chemical synthesis. It is widely used as an intermediate in pharmaceutical and industrial applications.

What are the main uses of 3-(Trifluoromethyl)benzaldehyde (CAS: 454-89-7)?

3-(Trifluoromethyl)benzaldehyde (CAS: 454-89-7) is primarily used in pharmaceuticals as a key intermediate for synthesizing drugs targeting fungal infections and neurological disorders. In industry, it serves as a reagent for producing fluorinated compounds and specialty chemicals. Its unique trifluoromethyl group makes it valuable in research for developing agrochemicals and advanced materials, leveraging its chemical versatility and reactivity.

Is 3-(Trifluoromethyl)benzaldehyde (CAS: 454-89-7) safe?

3-(Trifluoromethyl)benzaldehyde (CAS: 454-89-7) requires careful handling due to its potential to cause skin and eye irritation. It is classified as a hazardous chemical under safety standards, necessitating protective measures like gloves, goggles, and proper ventilation. While not highly toxic in small amounts, prolonged exposure may pose health risks. Always follow OSHA guidelines and handle in well-ventilated areas to ensure safety.

How should 3-(Trifluoromethyl)benzaldehyde (CAS: 454-89-7) be stored?

3-(Trifluoromethyl)benzaldehyde (CAS: 454-89-7) should be stored in a cool, dry, and dark location, ideally at 25°C. Keep in a sealed, airtight container to prevent evaporation and contamination. Avoid exposure to moisture, air, and strong oxidizing agents. Store away from heat sources and incompatible materials to maintain stability and ensure safety during handling.