3,4-Difluorothiophenol - CAS 60811-24-7

Catalog:	BB030818
Product Name:	3,4-Difluorothiophenol
CAS:	60811-24-7
Synonyms:	3,4-difluorobenzenethiol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3,4-difluorobenzenethiol
Description:	3,4-Difluorothiophenol (CAS# 60811-24-7) is a useful research chemical.
Molecular Weight:	146.16
Molecular Formula:	C6H4F2S
Canonical SMILES:	C1=CC(=C(C=C1S)F)F
InChI:	InChI=1S/C6H4F2S/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChI Key:	BGVRHDQMTMPAEZ-UHFFFAOYSA-N
Boiling Point:	169-170 °C
Melting Point:	34 °C
Purity:	98 %
Density:	1.323 g/cm³
Appearance:	Clear, colorless to light yellow liquid
MDL:	MFCD03094279
LogP:	2.25350

Publication Number	Title	Priority Date
CN-112158866-A	Preparation method of hydroxy alumina and catalyst thereof	20200904
CN-111774096-A	Catalyst modified by thiol ligand and preparation method and application thereof	20200714
CN-111822052-A	Preparation method of catalyst obtained by modifying palladium, catalyst and application	20200714
WO-2021207310-A1	Menin inhibitors and methods of use for treating cancer	20200408
WO-2021166741-A1	Resist pattern formation method	20200221

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Related Functional Groups

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Sulfur Compounds

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	97.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.00017763
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	146.00017763
Rotatable Bond Count:	0
Topological Polar Surface Area:	1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5