4-[(Trifluoromethyl)sulfanyl]benzaldehyde

Basic Information

View in Editor

CAS Number

4021-50-5

Molecular Formula

C8H5F3OS

Molecular Weight

206.19 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

29-31 °C

Boiling Point

85°C/10mmHg

Refractive Index

n20/D 1.511(lit.)

SMILES

View in Editor

C1=CC(=CC=C1C=O)SC(F)(F)F

InChI

InChI=1S/C8H5F3OS/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-5H

InChIKey

OPAXHVNZGUGCKW-UHFFFAOYSA-N

LogP

3.1110000000000015

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

173

Safety Information

View Safety Information

GHS Hazard Pictograms

H302

H315

H319

H335

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Class AIR SENSITIVE Class AIR SENSITIVE

Class STENCH Class STENCH

Sensitiveness

Stench

Synonyms & References

English

4-((Trifluoromethyl)thio)benzaldehyde
4-(trifluoromethylsulfanyl)benzaldehyde
4-trifluomethylthio benzoldehye
4-[(trifluoromethyl)sulfanyl]benzaldehyde
T2405
4-[(trifluoromethyl)sulphanyl]benzaldehyde
4-trifluoromethylsulfanyl-benzaldehyde
Z166646638
EN300-23909
4-[(trifluoromethyl)thio]benzaldehyde
SY048969
DTXSID90380681
SCHEMBL833952
AM62291
4-(trifluoromethyl)thiobenzaldehyde
4-(Trifluoromethylthio)benzaldehyde
A824984
FT-0617326
FS-4245
4021-50-5
MFCD00129191
Benzaldehyde, 4-[(trifluoromethyl)thio]-
4-(Trifluoromethylthio)benzaldehyde, 90%
AKOS005254548
4-[(Trifluoromethyl)-thio]-benzaldehyde
4-Trifluoromethylthiobenzaldehyde
4-((Trifluoromethyl)sulfanyl)benzaldehyde
KSC582M6P
4-trifluomethylthio benzoldehyde
RARECHEM GT HW 0381
OPAXHVNZGUGCKW-UHFFFAOYSA-N

MDL Number

MFCD00129191

Customs Code

2930909090

FAQ

What are the physical and chemical properties of 4-[(Trifluoromethyl)sulfanyl]benzaldehyde (CAS: 4021-50-5)?

4-[(Trifluoromethyl)sulfanyl]benzaldehyde (CAS: 4021-50-5) is a crystalline solid with a molecular weight of approximately 242.09 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. It is highly reactive due to the presence of the trifluoromethyl sulfanyl group, which can participate in electrophilic substitution reactions and nucleophilic addition reactions.

How is 4-[(Trifluoromethyl)sulfanyl]benzaldehyde (CAS: 4021-50-5) typically synthesized?

4-[(Trifluoromethyl)sulfanyl]benzaldehyde is typically synthesized via the reduction of 4-[(trifluoromethyl)thio]benzoyl chloride with sodium borohydride. This method provides good selectivity and yield. Other methods include the direct sulfonation of 4-chlorobenzaldehyde with trifluoromethyl sulfide followed by hydrogenation.

What industries use 4-[(Trifluoromethyl)sulfanyl]benzaldehyde (CAS: 4021-50-5)?

4-[(Trifluoromethyl)sulfanyl]benzaldehyde (CAS: 4021-50-5) is used in the pharmaceutical industry as a starting material for the synthesis of drugs. It is also found in the polymer industry for the modification of polymer properties. Additionally, it is used in the synthesis of chemical sensors, semiconductors, and as a reagent in analytical chemistry.

What precautions should be taken when handling 4-[(Trifluoromethyl)sulfanyl]benzaldehyde (CAS: 4021-50-5)?

Proper handling of 4-[(Trifluoromethyl)sulfanyl]benzaldehyde (CAS: 4021-50-5) requires the use of personal protective equipment (PPE) including gloves, goggles, and a lab coat. Store it in a cool, dry place, away from sources of heat and ignition. Use a fume hood during synthesis and handling to minimize exposure. In case of a spill, neutralize with a suitable absorbent and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed information.