4-Fluorothiophenol - CAS 371-42-6

Catalog:	BB023204
Product Name:	4-Fluorothiophenol
CAS:	371-42-6
Synonyms:	4-fluorobenzenethiol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	4-fluorobenzenethiol
Description:	Intermediate in the preparation of Imidaprilat.
Molecular Weight:	128.17
Molecular Formula:	C6H5FS
Canonical SMILES:	C1=CC(=CC=C1F)S
InChI:	InChI=1S/C6H5FS/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChI Key:	OKIHXNKYYGUVTE-UHFFFAOYSA-N
Boiling Point:	164-168 °C (700 mmHg)
Melting Point:	43-46 °C
Purity:	98 %
Density:	1.203 g/cm³
Appearance:	Clear colorless to light yellow liquid
Storage:	Flammables area
MDL:	MFCD00004846
LogP:	2.11440

Publication Number	Title	Priority Date
EP-3708565-A1	Pyrimidinyloxyphenylamidines and the use thereof as fungicides	20200304
US-2021188890-A1	Selective valorization of biomass sugars	20191219
WO-2021127642-A1	Selective valorization of biomass sugars	20191219
US-2021189080-A1	Composition for forming hard coat, method for producing article having hard coat, hard coat, hard-coated article, and silane-modified alicyclic compound	20191212
WO-2021099315-A1	Cation exchange polymers and anion exchange polymers and corresponding (blend) membranes made of polymers containing highly fluorinated aromatic groups, by way of nucleophilic substitution	20191118

PMID	Publication Date	Title	Journal
22706613	20120721	Ag44(SR)30(4-): a silver-thiolate superatom complex	Nanoscale
22852389	20120501	An alkyl spacer effect on the structure of 4-fluorobenzenethiol and 4-fluorobenzenemethanethiol self-assembled monolayers on Au(111)	Journal of nanoscience and nanotechnology
21451865	20110521	Gas-phase ion-molecule reactions using regioselectively generated radical cations to model oxidative damage and probe radical sites in peptides	Organic & biomolecular chemistry
20356292	20100301	Photoemission spectroscopy of tethered CdSe nanocrystals: shifts in ionization potential and local vacuum level as a function of nanocrystal capping ligand	ACS applied materials & interfaces
19320427	20090505	STM imaging ortho- and para-fluorothiophenol self-assembled monolayers on Au(111)	Langmuir : the ACS journal of surfaces and colloids

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Related Functional Groups

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Sulfur Compounds

[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[1778-09-2]
4'-(Methylthio)acetophenone

GHS Hazard Statement:	H226 (98.84%): Flammable liquid and vapor [Warning Flammable liquids]; H300 (50%): Fatal if swallowed [Danger Acute toxicity, oral]; H310 (50%): Fatal in contact with skin [Danger Acute toxicity, dermal]; H315 (97.67%): Causes skin irritation [Warning Skin corrosion/irritation]; H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H319 (97.67%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H330 (44.19%): Fatal if inhaled [Danger Acute toxicity, inhalation]; H335 (97.67%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H400 (48.84%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]; H410 (48.84%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P313, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	66.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.0095995
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	128.0095995
Rotatable Bond Count:	0
Topological Polar Surface Area:	1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3