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549223

Sigma-Aldrich

3,4-Difluorothiophenol

96%

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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

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’.

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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)

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