3,5-Bis(trifluoromethyl)benzenethiol

Basic Information

View in Editor

CAS Number

130783-02-7

Molecular Formula

C8H4F6S

Molecular Weight

246.17 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

167 °C

Water Solubility

Insoluble in water but soluble in alcohol and ether.

Refractive Index

n20/D 1.442(lit.)

SMILES

View in Editor

C1=C(C=C(C=C1C(F)(F)F)S)C(F)(F)F

InChI

InChI=1S/C8H4F6S/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3,15H

InChIKey

KCAQWPZIMLLEAF-UHFFFAOYSA-N

LogP

4.0129

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

198

Safety Information

View Safety Information

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 6.1 Class 6.1

Sensitiveness

Air Sensitive

Synonyms & References

English

CHEMBL4632641
SCHEMBL440730
3,5-Bis(trifluoromethyl)thiophenol
3,5-Bis(trifluoromethyl)benzenethiol
J-511236
AKOS005254445
A2731
PS-7523
B2391
3,5-bis(trifluoromethyl)benzene-1-thiol
AC-14119
MFCD00042273
130783-02-7
Benzenethiol, 3,5-bis(trifluoromethyl)-
C8H4F6S
3,5-Bis(trifluoromethyl)benzenethiol #
FT-0643140
DTXSID20333802
CS-W009357
EN300-1929054
3,5-Bis(trifluoromethyl)benzenethiol, 97%
3,5-bis(trifluoromethyl)-benzenethiol
3,5-BIS(TRIFLUOROMETHYL)THIOPHENOL
1-bromo-3,5-bis(trifluoromethyl)benzene
3,5-bis(trifluoromethyl)thiolbenzene
3,5-bis-trifluoromethylphenylthiol
alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-5-thio-m-xylene, 3,5-Bis(trifluoromethyl)phenyl mercaptan
3,5-Bis(trifluoromethyl)thiophenol95%
3,5-Bis(trifluoromethyl)thiophenol 95%
3,5-Bis(trifluoromethyl)thiophenol,98%
3,5-Bis(trifluoromethyl)benzenethiol 97%

MDL Number

MFCD00042273

Customs Code

2930909090

FAQ

What is 3,5-Bis(trifluoromethyl)benzenethiol (CAS: 130783-02-7)?

3,5-Bis(trifluoromethyl)benzenethiol is an organic compound with the CAS number 130783-02-7. It is a thiol derivative with the molecular formula C9H5F6NS. This compound exhibits a strong sulfur odor and is commonly used in analytical chemistry for derivatization reactions and as a reagent in organic synthesis.

What are the main uses of 3,5-Bis(trifluoromethyl)benzenethiol (CAS: 130783-02-7)?

3,5-Bis(trifluoromethyl)benzenethiol is primarily used as a reagent in organic synthesis, particularly for the introduction of trifluoromethyl groups. It is also used in analytical chemistry for derivatization reactions, enhancing the detection of certain compounds in various analytical techniques.

Is 3,5-Bis(trifluoromethyl)benzenethiol (CAS: 130783-02-7) safe?

3,5-Bis(trifluoromethyl)benzenethiol is not considered safe for general use due to its toxic and corrosive nature. Proper handling requires wearing appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation and skin contact.

How should 3,5-Bis(trifluoromethyl)benzenethiol (CAS: 130783-02-7) be stored?

3,5-Bis(trifluoromethyl)benzenethiol should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly closed container to prevent exposure to air and moisture. It is recommended to store it under nitrogen atmosphere to minimize the risk of decomposition and ensure purity.