Skip to Content
Merck
All Photos(1)

Documents

549223

Sigma-Aldrich

3,4-Difluorothiophenol

96%

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
F2C6H3SH
CAS Number:
60811-24-7
Molecular Weight:
146.16
MDL number:
MFCD03094279
UNSPSC Code:
12352100
PubChem Substance ID:
24879070
NACRES:
NA.22

Quality Level

100

Assay

96%

refractive index

n20/D 1.528 (lit.)

bp

169-170 °C (lit.)

density

1.323 g/mL at 25 °C (lit.)

SMILES string

Fc1ccc(S)cc1F

InChI

1S/C6H4F2S/c7-5-2-1-4(9)3-6(5)8/h1-3,9H

InChI key

BGVRHDQMTMPAEZ-UHFFFAOYSA-N

Related Categories

General description

3,4-Difluorothiophenol is a halo-substituted thiol derivative.

Application

3,4-Difluorothiophenol may be used:
  • To prepare a novel 3,4-difluorophenylthiomethyl group containing phthalazine derivative, which shows high cytotoxic activity.
  • To prepare a fluorothiophenyl modified poly(vinyl chloride) membrane with improved gas permeability efficiency.
  • As a ligand to synthesize noble metal quantum clusters (QCs).
  • To prepare ethyl 5-(aminosulfonyl)-2-[(3,4-difluorophenyl)thio]nicotinate, an intermediate for preparing potent thioether benzenesulfonamide inhibitors of carbonic anhydrases II and IV.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226,H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

120.0 °F - closed cup

Flash Point(C)

48.9 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Noble metal clusters: applications in energy, environment, and biology.
Mathew A and Pradeep T.
Particle & Particle Systems Characterization, 31(10), 1017-1053 (2013)
Synthesis and in vitro cytotoxicity of novel 1, 4-disubstituted phthalazines.
Zhai X, et al.
Chinese Chemical Letters = Zhongguo Hua Xue Kuai Bao, 19(1), 29-32 (2008)
Gas transport in fluorothiophenyl modified PVC membranes.
Bierbrauer K, et al.
Journal of Membrane Science, 362(1), 164-171 (2010)
Thioether benzenesulfonamide inhibitors of carbonic anhydrases II and IV: structure-based drug design, synthesis, and biological evaluation.
Vernier W, et al.
Bioorganic & Medicinal Chemistry, 18(9), 3307-3319 (2010)

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service