4-Fluorothiophenol supplier

Name
4-Fluorothiophenol
EINECS 206-737-6
CAS No. 371-42-6
Article Data33
CAS DataBase
Density 1.206 g/cm³
Solubility Not miscible or difficult to mix in water.
Melting Point 43-46 °C
Formula C₆H₅FS
Boiling Point 162.3 °C at 760 mmHg
Molecular Weight 128.17
Flash Point 56.3 °C
Transport Information UN 3336 3/PG 3
Appearance clear colorless to light yellow liquid
Safety 26-36-45-16-7/9
Risk Codes 10-36/37/38
Molecular Structure
Hazard Symbols Xi,F
Synonyms Benzenethiol,p-fluoro- (7CI,8CI);(4-Fluorophenyl)thiol;4-Fluorobenzenethiol;4-Fluorophenyl mercaptan;NSC 77081;p-Fluorobenzenethiol;p-Fluorothiophenol;
PSA 38.80000
LogP 2.11440

Synthetic route

: 405-31-2
bis(4-fluorophenyl)disulfide

: 371-42-6
4-Fluorothiophenol

Conditions

Conditions	Yield
In water; isopropyl alcohol	98.5%
	98.5%
With sodium tetrahydroborate In water; isopropyl alcohol	96.5%

: 352-34-1
4-fluoro-1-iodobenzene

: 371-42-6
4-Fluorothiophenol

Conditions

Conditions	Yield
With copper(l) iodide; thiourea; L-proline; sodium t-butanolate In dimethyl sulfoxide at 90℃; for 24h; Inert atmosphere;	97%
Stage #1: 4-fluoro-1-iodobenzene With copper(l) iodide; potassium carbonate; sulfur In N,N-dimethyl-formamide at 90℃; for 8h; Inert atmosphere; Stage #2: With sodium tetrahydroborate In N,N-dimethyl-formamide at 40℃; Inert atmosphere; Cooling with ice;	88%

: 72050-06-7
p-Fluorophenylsulfenyl methyl thiocarbonate

A: 371-42-6
4-Fluorothiophenol

B: 3878-45-3
triphenylphosphine sulfide

C: 791-28-6
Triphenylphosphine oxide

Conditions

Conditions	Yield
With triphenylphosphine In benzene Mechanism; Ambient temperature;	A 90% B 6% C 94%

...Expand

: 368-88-7
4-fluorobenzenesulfonic acid

: 371-42-6
4-Fluorothiophenol

Conditions

Conditions	Yield
With 6% Pd/C; iodine; triphenylphosphine; isopropyl alcohol for 10h; Reflux;	92%

: 349-88-2
4-Fluorobenzenesulfonyl chloride

: 371-42-6
4-Fluorothiophenol

Conditions

Conditions	Yield
With formic acid; 6% Pd/C; triphenylphosphine at 60℃; for 8h;	90%
With potassium formate at 200℃; for 7h; neat (no solvent);	80%
With sulfuric acid; zinc
With phosphorus; iodine

: 402-46-0
4-fluorophenylsulphonamide

: 371-42-6
4-Fluorothiophenol

Conditions

Conditions	Yield
With ammonium formate at 100 - 200℃; for 7h; neat (no solvent);	82%

: 824-80-6
sodium 4-fluorobenzenesulfinate

: 371-42-6
4-Fluorothiophenol

Conditions

Conditions	Yield
With hydrogenchloride; tin In water for 24h; Heating;	78%

: 460-00-4
1-Bromo-4-fluorobenzene

: 371-42-6
4-Fluorothiophenol

Conditions

Conditions	Yield
Stage #1: 1-Bromo-4-fluorobenzene With water; caesium carbonate; sodium thiosulfate; bis(dibenzylideneacetone)-palladium(0); XPhos In toluene; tert-butyl alcohol at 80℃; for 24h; Inert atmosphere; Stage #2: With hydrogenchloride; zinc In water for 1h; Cooling with ice;	73%
With diethyl ether; sulfur; magnesium Kochen des Reaktionsprodukts mit Zink und wss. HCl;
(i) Mg, (ii) sulfur, (iii) Zn, aq. HCl; Multistep reaction;

: 352-33-0
1-Chloro-4-fluorobenzene

A: 462-06-6
fluorobenzene

B: 70060-12-7
5-fluorobenzo[b]thiophene

C: 371-42-6
4-Fluorothiophenol

D: 404-38-6
4,4'-difluorodiphenyl sulfide

Conditions

Conditions	Yield
With hydrogen sulfide at 700℃; for 1.5h; Product distribution; Kinetics; Further Variations:; Temperatures; Reagents; Substitution; Reduction;	A n/a B n/a C 18% D 28%

...Expand

: [Dimethylamino-(4-fluoro-phenylsulfanyl)-methylene]-dimethyl-ammonium; iodide

A: 371-42-6
4-Fluorothiophenol

B: 632-22-4
tetramethylurea

Conditions

Conditions	Yield
at 20℃; Rate constant; pH=11;

: 332-51-4
(4-fluorophenylthio)acetic acid

A: 371-42-6
4-Fluorothiophenol

B: 298-12-4
Glyoxilic acid

Conditions

Conditions	Yield
With perchloric acid; sodium perborate; acetic acid at 24.9℃; Rate constant; Thermodynamic data; Mechanism; var. temp., ΔH(excit.), ΔS(excit.);

: 462-06-6
fluorobenzene

: 371-42-6
4-Fluorothiophenol

Conditions

Conditions	Yield
(i) ClSO3H, (ii) Zn, aq. H2SO4; Multistep reaction;

: 371-40-4
4-fluoroaniline

: 371-42-6
4-Fluorothiophenol

Conditions

Conditions	Yield
(i) NaNO2, aq. HCl, NaOAc, (ii) aq. EtOCS2K, (iii) KOH, glucose; Multistep reaction;

: 332-51-4
(4-fluorophenylthio)acetic acid

: 371-42-6
4-Fluorothiophenol

Conditions

Conditions	Yield
With perchloric acid; pyridinium chlorochromate In water; acetic acid at 24.85 - 44.85℃; Kinetics; Oxidation;

: 92-52-4
biphenyl

: 405-31-2
bis(4-fluorophenyl)disulfide

A: 371-42-6
4-Fluorothiophenol

B: 4-fluoro-3'-phenyldiphenyl sulfide

C: biphenyl-4-yl(4-fluorophenyl)sulfane

Conditions

Conditions	Yield
With aluminium trichloride In hexane at 25℃; for 3h; Product distribution; Kinetics; Disproportionation; substitution;	A 3.7 % Chromat. B 6.8 % Chromat. C 69 % Chromat.

...Expand

: 100-41-4
ethylbenzene

: 405-31-2
bis(4-fluorophenyl)disulfide

A: 371-42-6
4-Fluorothiophenol

B: 4-fluorophenyl 2-ethylphenyl sulfide

C: 4-fluorophenyl 4-ethylphenyl sulfide

D: 4-fluorophenyl 3-ethylphenyl sulfide

Conditions

Conditions	Yield
With aluminium trichloride at 25℃; for 6h; Product distribution; Kinetics; Disproportionation; substitution;	A 20 % Chromat. B 7.0 % Chromat. C 54 % Chromat. D 9.0 % Chromat.

...Expand

: 405-31-2
bis(4-fluorophenyl)disulfide

: 108-88-3
toluene

A: 371-42-6
4-Fluorothiophenol

B: 42917-47-5
4-fluorophenyl-4'-methylphenyl sulfide

C: (4-fluorophenyl)(o-tolyl)sulfide

D: 4-fluorophenyl 3-tolyl sulfide

Conditions

Conditions	Yield
With aluminium trichloride at 25℃; for 3h; Product distribution; Kinetics; Disproportionation; substitution;	A 2.2 % Chromat. B 57 % Chromat. C 18 % Chromat. D 9.3 % Chromat.

...Expand

: 67-56-1
methanol

: 333-42-6
thiophosphoric acid O,O'-diethyl ester S-(4-fluorophenyl) ester

A: 371-42-6
4-Fluorothiophenol

B: 867-17-4
diethyl methyl phosphate

Conditions

Conditions	Yield
With 1,5,9-triazacyclododecane Zn(2+)-OCH3(1-) at 25℃; pH=9.1; Kinetics; Further Variations:; Reagents;

...Expand

: 886227-41-4
methyl-phosphonothioic acid O-ethyl ester S-(4-fluoro-phenyl) ester

: 124-41-4
sodium methylate

A: 371-42-6
4-Fluorothiophenol

B: 18755-36-7
O-ethyl O-methyl methylphosphonate

Conditions

Conditions	Yield
With N-ethylmorpholine;; perchloric acid; sodium methylate; La(OTf) In methanol Title compound not separated from byproducts;
lanthanum(lll) triflate In methanol Kinetics; Further Variations:; Catalysts;

...Expand

: C7H7ClFOPS

: 371-42-6
4-Fluorothiophenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Na2CO3 / tetrahydrofuran / 0.5 h 2: La(OTf)3 / methanol View Scheme

: 67-56-1
methanol

: 1284189-31-6
C7H8FO2PS

A: 371-42-6
4-Fluorothiophenol

B: 1066-53-1
methyl hydrogen methylphosphonate

Conditions

Conditions	Yield
With lanthanum(lll) triflate at 25℃; pH=8.4; Kinetics; Mechanism; pH-value; aq. buffer;

...Expand

: C13H11F2OPS2

: 371-42-6
4-Fluorothiophenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium hydroxide / 1,4-dioxane; water / 8 h / 50 °C 2: lanthanum(lll) triflate / 25 °C / pH 8.4 / aq. buffer View Scheme

: 882289-35-2
4-(4-fluorophenylthio)-7-nitrobenzo[c][1,2,5]oxadiazole

A: 371-42-6
4-Fluorothiophenol

B: 16597-09-4
7-nitrobenzo[c][1,2,5]oxadiazole-4-thiol

Conditions

Conditions	Yield
With sodium hydrogen sulfide In aq. buffer pH=7.4;

: 371-42-6
4-Fluorothiophenol

: 405-31-2
bis(4-fluorophenyl)disulfide

Conditions

Conditions	Yield
1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione In chloroform at 20℃; for 0.0166667h;	100%
With (S)-tetrahydrotellurophen-3-amine hydrochloride; dihydrogen peroxide In dichloromethane at 25℃; pH=7.5; Flow reactor;	100%
With melamine hydrogen peroxide In acetonitrile for 0.25h; Reflux;	99%

: 371-42-6
4-Fluorothiophenol

: 100-00-5
4-chlorobenzonitrile

: 2438-85-9
4-fluorophenyl 4′-nitrophenyl sulfide

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 20 - 25℃; for 16h;	100%
With potassium carbonate In N,N-dimethyl-formamide at 100℃;	98%
With potassium hydroxide
(i) Na, EtOH, (ii) /BRN= 508691/; Multistep reaction;
With potassium carbonate In acetonitrile at 20℃; for 48h; Inert atmosphere;

: 75-30-9
2-iodo-propane

: 371-42-6
4-Fluorothiophenol

: 702-13-6
1-Fluoro-4-(isopropylthio)benzene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 60℃;	100%

: 371-42-6
4-Fluorothiophenol

: 4-fluorobenzenesulfinic acid lithium salt

Conditions

Conditions	Yield
With methyllithium; N-(benzenesulfonyl)-3-phenyloxaziridine In tetrahydrofuran; diethyl ether at -78 - -10℃;	100%
With methyllithium; N-(benzenesulfonyl)-3-phenyloxaziridine In tetrahydrofuran; diethyl ether at -78 - -40℃;

: 371-42-6
4-Fluorothiophenol

: 141699-59-4
1-(tert-butoxycarbonyl)piperidin-4-yl methanesulfonate

: 226398-48-7
tert-butyl 4-[(4-fluorophenyl)sulfanyl]piperidine-1-carboxylate

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 18h; Heating / reflux;	100%
With potassium carbonate In acetonitrile at 85℃;	95%
With potassium carbonate In acetonitrile at 85℃;	95%
With potassium carbonate In acetonitrile at 85℃;	95%
With potassium carbonate In N,N-dimethyl-formamide at 70℃; for 7h;	86%

: 371-42-6
4-Fluorothiophenol

: 5292-43-3
bromoacetic acid tert-butyl ester

: 212770-40-6
2-(4-fluoro-benzenesulfanyl)-acetic acid tert-butyl ester

Conditions

Conditions	Yield
	100%
	100%

: 371-42-6
4-Fluorothiophenol

: 100-00-5
4-chlorobenzonitrile

: 4-fluorophenyl-4-nitrophenyl sulfide

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 20 - 25℃; for 16h;	100%

: 371-42-6
4-Fluorothiophenol

: 107-59-5
tert-Butyl chloroacetate

: 212770-40-6
2-(4-fluoro-benzenesulfanyl)-acetic acid tert-butyl ester

Conditions

Conditions	Yield
With dmap; potassium carbonate In DMF (N,N-dimethyl-formamide) at 20℃;	100%

: 847727-21-3
8-chloro-3-iodo-quinoline

: 371-42-6
4-Fluorothiophenol

: 870301-30-7
8-chloro-3-[(4-fluorophenyl)sulfanyl]quinoline

Conditions

Conditions	Yield
With potassium phosphate; copper(l) iodide In ethylene glycol at 20 - 80℃; for 18h;	100%
With potassium phosphate; copper(l) iodide In ethylene glycol at 20 - 80℃; for 18h;	100%
With copper(l) iodide; caesium carbonate In N,N-dimethyl-formamide at 100℃;	94%
With potassium phosphate; copper(l) iodide In ethylene glycol at 20 - 80℃; for 18h;

: 35298-48-7
2,2-dimethyl-3(2H)-furanone

: 371-42-6
4-Fluorothiophenol

: 4-[(4-Fluorophenyl)sulfonyl]methyl-2,2-dimethyl-3(2H)-furanone

Conditions

Conditions	Yield
With formaldehyd; triethylamine In ethanol	100%

: 371-42-6
4-Fluorothiophenol

: 913091-70-0
2-bromo-5-[chloro(2,5-difluorophenyl)methyl]-4-methylpyridine

: 913091-71-1
2-bromo-5-[(2,5-difluorophenyl)[(4-fluorophenyl)thio]methyl]-4-methylpyridine

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 0 - 20℃; for 1h;	100%

: 212770-40-6
2-(4-fluoro-benzenesulfanyl)-acetic acid tert-butyl ester

: 371-42-6
4-Fluorothiophenol

: 5292-43-3
bromoacetic acid tert-butyl ester

: 2-(4-Fluoro-benzenesulfonyl)-2-pyridin-3-ylmethyl-hex-4-ynoic acid hydroxyamide

Conditions

Conditions	Yield
	100%

...Expand

: 371-42-6
4-Fluorothiophenol

: 206193-17-1
(2R)-3-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide

: (R)-Thiobicalutamide

Conditions

Conditions	Yield
Stage #1: 4-Fluorothiophenol With sodium hydride In tetrahydrofuran; mineral oil Stage #2: (2R)-3-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide In tetrahydrofuran; mineral oil at 20℃; for 20h;	100%
Stage #1: 4-Fluorothiophenol With sodium hydride In tetrahydrofuran; mineral oil at 0 - 20℃; Stage #2: (2R)-3-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide In tetrahydrofuran; mineral oil at 0 - 20℃;	88%
Stage #1: 4-Fluorothiophenol With sodium hydride In tetrahydrofuran; mineral oil Inert atmosphere; Stage #2: (2R)-3-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide In tetrahydrofuran; mineral oil at 20℃; for 24h; Inert atmosphere;	60%
Stage #1: 4-Fluorothiophenol With sodium hydride In tetrahydrofuran; mineral oil at 20℃; for 0.5h; Inert atmosphere; Stage #2: (2R)-3-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide In tetrahydrofuran; mineral oil at 0 - 20℃; Inert atmosphere;

4-Fluorothiophenol Chemical Properties

IUPAC Name: 4-Fluorobenzenethiol
Canonical SMILES: C1=CC(=CC=C1F)S
InChI: InChI=1S/C6H5FS/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKey: OKIHXNKYYGUVTE-UHFFFAOYSA-N
Molecular Weight: 128.167303 [g/mol]
Molecular Formula: C₆H₅FS
XLogP3: 2.3
H-Bond Donor: 0
H-Bond Acceptor: 1
EINECS: 206-737-6
storage temp.: Flammables area
Sensitive: Stench
Appearance: clear colorless to light yellow liquid
Melting Point: 43-46 °C
Index of Refraction: 1.561
Molar Refractivity: 34.42 cm³
Molar Volume: 106.2 cm³
Surface Tension: 37.4 dyne/cm
Density: 1.206 g/cm³
Flash Point: 56.3 °C
Enthalpy of Vaporization: 38.24 kJ/mol
Boiling Point: 162.3 °C at 760 mmHg
Vapour Pressure: 2.85 mmHg at 25 °C
Product Categories of Benzenethiol,4-fluoro- (CAS NO.371-42-6): Fluorobenzene; Phenol & Thiophenol & Mercaptan; Miscellaneous

4-Fluorothiophenol Safety Profile

Hazard Codes: Irritant Xi,F
Risk Statements: 10-36/37/38
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-45-16-7/9
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S16:Keep away from sources of ignition.
S7:Keep container tightly closed.
S9:Keep container in a well-ventilated place.
RIDADR: UN 3336 3/PG 3
WGK Germany: 3
Hazard Note: Irritant/Stench
HazardClass: 3
PackingGroup of Benzenethiol,4-fluoro- (CAS NO.371-42-6): III

4-Fluorothiophenol Specification

Benzenethiol,4-fluoro- (CAS NO.371-42-6), its Synonyms are 4-Fluorothiophenol ; 4-Mercaptofluorobenzene ; Benzenethiol,p-fluoro- (7CI,8CI) ; 4-Fluorophenyl mercaptan ; p-Fluorobenzenethiol ; p-Fluorothiophenol .

Product Name

4-Fluorothiophenol

Synthetic route

4-Fluorothiophenol Chemical Properties

4-Fluorothiophenol Safety Profile

4-Fluorothiophenol Specification

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