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Merck
CN

549223

3,4-Difluorothiophenol

96%

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About This Item

Linear Formula:
F2C6H3SH
CAS Number:
Molecular Weight:
146.16
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
96%
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Quality Level

assay

96%

refractive index

n20/D 1.528 (lit.)

bp

169-170 °C (lit.)

density

1.323 g/mL at 25 °C (lit.)

functional group

fluoro

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

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

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

120.0 °F - closed cup

flash_point_c

48.9 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Gas transport in fluorothiophenyl modified PVC membranes.
Bierbrauer K, et al.
Journal of Membrane Science, 362(1), 164-171 (2010)
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)
Noble metal clusters: applications in energy, environment, and biology.
Mathew A and Pradeep T.
Particle & Particle Systems Characterization, 31(10), 1017-1053 (2013)



Global Trade Item Number

SKUGTIN
549223-25G04061837249099
549223-5G04061837249105