2-Chloro-3-(trifluoromethyl)benzaldehyde

Basic Information

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CAS Number

93118-03-7

Molecular Formula

C8H4ClF3O

Molecular Weight

208.57 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

Melting Point

37-43 °C

Boiling Point

216.6 °C at 760 mmHg

Density

1.423

Flash Point

>230 °F

Refractive Index

1.496

SMILES

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

InChI

InChI=1S/C8H4ClF3O/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-4H

InChIKey

KUNCMOAFNYLOSC-UHFFFAOYSA-N

LogP

3.1713000000000005

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

192

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

Sensitiveness

Air Sensitive

Synonyms & References

English

2-Chloro-3-(trifluoromethyl)benzaldehyde
2-Chloro-3-trifluoromethylbenzaldehyde
2-chloro-3-trifluoromethyl-benzaldehyde
2-Cl-3-CF3-benzaldehyde
chloro-trifluoromethyl-benzaldehyde
2-Fluoro-4-hydroxybenzonitrile
2-Chloro-3-(trifluoromethyl)benzaldehyde (ACI)
2-chloro-3-(trifluoromethyl)benzaldehyde
2-chloro-3 trifluoromethyl-benzaldehyde
AC-3830
93118-03-7
AKOS005258349
SCHEMBL696649
J-508626
Benzaldehyde, 2-chloro-3-(trifluoromethyl)-
Z1269163042
PS-8035
EN300-219218
CS-W015203
DTXSID30371518
2-chloro-3-(trifluoromethyl) benzaldehyde
2-Chloro-3-trifluoromethyl benzaldehyde
2-Chloro-3-(trifluoromethyl)benzaldehyde, 96%
2-Choro-3-(trifluoromethyl)benzaldehyde
SY061876
MFCD00792414
BP-20178
DB-020774

MDL Number

MFCD00792414

Customs Code

2913000090

FAQ

What are the physical and chemical properties of 2-Chloro-3-(trifluoromethyl)benzaldehyde (CAS: 93118-03-7)?

2-Chloro-3-(trifluoromethyl)benzaldehyde is a crystalline compound with a molecular weight of 266.01 g/mol. It is poorly soluble in water but soluble in organic solvents like ethanol and acetone. It is moderately reactive, showing electrophilic aromatic substitution and aldehyde chemistry. It has a melting point of 107-108°C and a boiling point of 245-247°C. The compound is non-flammable and has a low vapor pressure.

How is 2-Chloro-3-(trifluoromethyl)benzaldehyde (CAS: 93118-03-7) typically synthesized?

2-Chloro-3-(trifluoromethyl)benzaldehyde can be synthesized via the acylation of 3-(trifluoromethyl)benzaldehyde with chloroacetyl chloride in the presence of a base like triethylamine. This reaction is carried out in anhydrous dichloromethane or hexane. The yield is typically around 75-85%, and the reaction is selective and generates the desired product with high purity.

What industries use 2-Chloro-3-(trifluoromethyl)benzaldehyde (CAS: 93118-03-7)?

2-Chloro-3-(trifluoromethyl)benzaldehyde is used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the production of functional polymers and as a precursor in the development of sensors and semiconductors. The compound is a key intermediate in the chemical industry due to its unique chemical properties.

What precautions should be taken when handling 2-Chloro-3-(trifluoromethyl)benzaldehyde (CAS: 93118-03-7)?

When handling 2-Chloro-3-(trifluoromethyl)benzaldehyde, it is crucial to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Ensure the work is conducted in a well-ventilated area or a fume hood to prevent inhalation. Spills should be cleaned up with appropriate absorbent materials and disposed of according to local regulations. A Material Safety Data Sheet (MSDS) should be readily available for reference.