3,5-Difluorothiophenol - CAS 99389-26-1

Catalog:	BB042286
Product Name:	3,5-Difluorothiophenol
CAS:	99389-26-1
Synonyms:	3,5-difluorobenzenethiol; 3,5-difluorobenzenethiol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3,5-difluorobenzenethiol
Description:	3,5-Difluorothiophenol could be a useful reagent for the design and synthesis of new selective tropomyosin receptor kinase inhibitors.
Molecular Weight:	146.16
Molecular Formula:	C6H4F2S
Canonical SMILES:	C1=C(C=C(C=C1F)S)F
InChI:	InChI=1S/C6H4F2S/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
InChI Key:	LFYVNHDFVIPZHV-UHFFFAOYSA-N
Boiling Point:	155.8 ℃ at 760 mmHg
Density:	1.323 g/cm³
MDL:	MFCD06201795
LogP:	2.25350

Publication Number	Title	Priority Date
WO-2021166741-A1	Resist pattern formation method	20200221
TW-M601499-U	Corrosion-resistant conductive structure	20200214
US-2021253871-A1	Corrosion-resistant conductive structure and corrosion-resistant coating composition	20200214
JP-2021107850-A	Chemically amplified positive photosensitive composition, photosensitive dry film, method for producing photosensitive dry film, method for producing patterned resist film, and acid diffusion inhibitor	20191227
WO-2021131522-A1	Chemically amplified positive photosensitive composition, photosensitive dry film, production method for photosensitive dry film, production method for patterned resist film, and acid diffusion inhibitor	20191227

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Related Functional Groups

Sulfur Compounds

[518012-62-9]
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[85-47-2]
1-Naphthalenesulfonic acid
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[5310-68-9]
4-Chlorophenylsulphur pentafluoride
[162515-68-6]
1-(Mercaptomethyl)cyclopropaneacetic Acid

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GHS Hazard Statement:	H225 (50%): Highly Flammable liquid and vapor [Danger Flammable liquids]; H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]; H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]; H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P272, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P313, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	87.1
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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3