2-Chloro-5-(trifluoromethyl)benzaldehyde

Basic Information

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CAS Number

82386-89-8

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

Boiling Point

97°C/15.8mmHg

Density

1.435 g/mL at 25 °C

Refractive Index

n20/D 1.488(lit.)

SMILES

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C1=CC(=C(C=C1C(F)(F)F)C=O)Cl

InChI

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

InChIKey

OZZOJJJYKYKBNH-UHFFFAOYSA-N

LogP

3.1713000000000013

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 Comb liq Class Comb liq

Sensitiveness

Air Sensitive

Synonyms & References

English

AC-2778
82386-89-8
SY002883
2-Chloro-5-(trifluoromethyl)benzaldehyde
Z1269110496
CK2100
AKOS005216079
2-chloro-5-trifluoromethylbenzaldehyde
Benzaldehyde, 2-chloro-5-(trifluoromethyl)-
AM61665
SCHEMBL132042
CS-W015202
EN300-116579
MFCD00134430
PS-8034
2-chloro-5-(trifluoromethyl) benzaldehyde
2-chloro-5-trifluoromethyl-benzaldehyde
4-trans-Propylcyclohexyl-4-ethylbiphenyl
J-508797
C2047
DTXSID60350816
FT-0641861
2-Chloro-5-(trifluoromethyl)benzaldehyde, 98%
2-Chloro-5-trifluoromethylbenzaldehyde
2-Chloro-5-trifluoromethyl-benzaldehyde
2-chloro-5-(trifluoromethyl)benzaldehyde

MDL Number

MFCD00134430

Customs Code

2913000090

FAQ

What are the physical and chemical properties of 2-Chloro-5-(trifluoromethyl)benzaldehyde (CAS: 82386-89-8)?

2-Chloro-5-(trifluoromethyl)benzaldehyde (CAS: 82386-89-8) is a crystalline solid with a molecular weight of approximately 260.03 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. The compound is known for its high reactivity, particularly towards nucleophiles and electrophiles. It exhibits good stability under normal conditions but can react with bases to form an alkoxide.

How is 2-Chloro-5-(trifluoromethyl)benzaldehyde (CAS: 82386-89-8) typically synthesized?

2-Chloro-5-(trifluoromethyl)benzaldehyde (CAS: 82386-89-8) is commonly synthesized via the Friedel-Crafts alkylation of 2-chlorobenzaldehyde with trichloromethyl trifluoromethylsulfonate (triflate) in the presence of aluminum chloride as a catalyst. The reaction typically provides good yields and high selectivity, though careful control of reaction conditions is necessary to minimize side products.

What industries use 2-Chloro-5-(trifluoromethyl)benzaldehyde (CAS: 82386-89-8)?

2-Chloro-5-(trifluoromethyl)benzaldehyde (CAS: 82386-89-8) is utilized in various industries, including pharmaceuticals, where it serves as a precursor for synthesizing antiviral drugs. It is also used in the production of polymer additives and as a reagent in the development of sensors and semiconductors.

What precautions should be taken when handling 2-Chloro-5-(trifluoromethyl)benzaldehyde (CAS: 82386-89-8)?

Proper handling of 2-Chloro-5-(trifluoromethyl)benzaldehyde (CAS: 82386-89-8) requires the use of personal protective equipment (PPE), including gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and flammable materials. In case of a spill, it is advisable to use appropriate absorbent materials and refer to the Safety Data Sheet (SDS) for detailed instructions.