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371-42-6

Basic Information
CAS No.: 371-42-6
Name: 4-Fluorothiophenol
Article Data: 33
Molecular Structure:
Molecular Structure of 371-42-6 (4-Fluorothiophenol)
Formula: C6H5FS
Molecular Weight: 128.17
Synonyms: Benzenethiol,p-fluoro- (7CI,8CI);(4-Fluorophenyl)thiol;4-Fluorobenzenethiol;4-Fluorophenyl mercaptan;NSC 77081;p-Fluorobenzenethiol;p-Fluorothiophenol;
EINECS: 206-737-6
Density: 1.206 g/cm3
Melting Point: 43-46 °C
Boiling Point: 162.3 °C at 760 mmHg
Flash Point: 56.3 °C
Solubility: Not miscible or difficult to mix in water.
Appearance: clear colorless to light yellow liquid
Hazard Symbols: IrritantXi,FlammableF
Risk Codes: 10-36/37/38
Safety: 26-36-45-16-7/9
Transport Information: UN 3336 3/PG 3
PSA: 38.80000
LogP: 2.11440
Synthetic route
405-31-2

bis(4-fluorophenyl)disulfide

371-42-6

4-Fluorothiophenol

Conditions
ConditionsYield
In water; isopropyl alcohol98.5%
98.5%
With sodium tetrahydroborate In water; isopropyl alcohol96.5%
352-34-1

4-fluoro-1-iodobenzene

371-42-6

4-Fluorothiophenol

Conditions
ConditionsYield
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
ConditionsYield
With triphenylphosphine In benzene Mechanism; Ambient temperature;A 90%
B 6%
C 94%
368-88-7

4-fluorobenzenesulfonic acid

371-42-6

4-Fluorothiophenol

Conditions
ConditionsYield
With 6% Pd/C; iodine; triphenylphosphine; isopropyl alcohol for 10h; Reflux;92%
349-88-2

4-Fluorobenzenesulfonyl chloride

371-42-6

4-Fluorothiophenol

Conditions
ConditionsYield
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
ConditionsYield
With ammonium formate at 100 - 200℃; for 7h; neat (no solvent);82%
824-80-6

sodium 4-fluorobenzenesulfinate

371-42-6

4-Fluorothiophenol

Conditions
ConditionsYield
With hydrogenchloride; tin In water for 24h; Heating;78%
460-00-4

1-Bromo-4-fluorobenzene

371-42-6

4-Fluorothiophenol

Conditions
ConditionsYield
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
ConditionsYield
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%

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

A

371-42-6

4-Fluorothiophenol

B

632-22-4

tetramethylurea

Conditions
ConditionsYield
at 20℃; Rate constant; pH=11;
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Chemistry


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

Safety Profile

Hazard Codes: IrritantXi,FlammableF
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

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 .