ChemicalBook--->CAS DataBase List--->371-42-6

371-42-6

371-42-6 Structure

371-42-6 Structure
IdentificationMore
[Name]

4-Fluorothiophenol
[CAS]

371-42-6
[Synonyms]

4-FLUOROBENZENE-1-THIOL
4-FLUOROBENZENETHIOL
4-FLUOROTHIOPHENOL
4-MERCAPTOFLUOROBENZENE
P-FLUOROPHENYL MERCAPTAN
P-FLUOROTHIOPHENOL
Fluorothiophenol2
4-FLUOROBENZENETHIOL,98%
4-Fluorothiophenol,98+%
4-Fluoromercaptobenzene
4-Fluorothiophenol 98%
4-Fluorthiophenol
4-Fluorothiophenol, 98+% (dry wt.), water <7%
4-Fluorobenzenethiol, 4-Mercaptofluorobenzene
4-Fluorophenyl mercaptan
p-Fluorobenzenethiol
4-fluorothiophene
[EINECS(EC#)]

206-737-6
[Molecular Formula]

C6H5FS
[MDL Number]

MFCD00004846
[Molecular Weight]

128.17
[MOL File]

371-42-6.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow liquid
[Melting point ]

43-46°C
[Boiling point ]

164-168 °C
[density ]

1.203 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.550(lit.)
[Fp ]

130 °F
[storage temp. ]

Flammables area
[solubility ]

soluble in Chloroform, Methanol
[form ]

Liquid
[pka]

6.40±0.10(Predicted)
[color ]

Clear colorless to light yellow
[Specific Gravity]

1.203
[Water Solubility ]

Not miscible or difficult to mix in water.
[Sensitive ]

Stench
[Detection Methods]

HPLC
[BRN ]

1446350
[InChIKey]

OKIHXNKYYGUVTE-UHFFFAOYSA-N
[CAS DataBase Reference]

371-42-6(CAS DataBase Reference)
[Storage Precautions]

Air sensitive
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Warning
[Hazard statements ]

H226-H315-H319-H335
[Precautionary statements ]

P210-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi,F
[Risk Statements ]

R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

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 label where possible) .
S16:Keep away from sources of ignition-No smoking .
S7/9:Keep container tightly closed and in a well-ventilated place .
[RIDADR ]

UN 3336 3/PG 3
[WGK Germany ]

3
[F ]

9-13-23
[Hazard Note ]

Irritant/Stench
[TSCA ]

N
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29309070
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Dichloromethane-->Chloroform-->Hexane-->Sodium borohydride-->Isopropyl alcohol-->Chlorosulfonic acid-->Sodium thiosulfate-->Fluorobenzene-->Iodotrimethylsilane-->2,1,3-Benzoxadiazole-4-thiol, 7-nitro--->Methyl methylphosphonic acid-->Di-4-fluorophenyl sulfide-->(4-Fluorophenylthio)acetic acid-->4-Fluorobenzenesulfonyl chloride-->Methylphosphonicacidethylmethylester-->Triphenylphosphine sulfide
[Preparation Products]

1-Fluoro-4-(trifluoromethylthio)benzene-->Bicalutamide
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Mercaptofluorobenzene(371-42-6).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to light yellow liquid
[Uses]

It is used in the synthesis of Bicalutamide, an anti-cancer drug.
[Definition]

ChEBI:4-Fluorothiophenol is a thiol.
[Synthesis]

4-Bromofluorobenzene

460-00-4

4-Fluorothiophenol

371-42-6

The general procedure for the synthesis of p-fluorothiophenol from p-bromofluorobenzene is as follows: In a Schlenk tube, pre-dried in an oven, the aryl halide p-bromofluorobenzene (0.5 mmol), sodium thiosulphate (100 mg), cesium carbonate (1 mmol, 325 mg), an appropriate amount of tris(dibenzylideneacetone)dipalladium/palladium acetate, and Xphos ligands were added in turn to the tube and placed in a magnetic stirring chamber. Sub. The Schlenk tube was evacuated and replaced three times with argon, followed by the addition of an appropriate amount of solvent. The reaction mixture was stirred at room temperature until uniformly dispersed. Next, the reaction tube was placed in an oil bath at 80°C and stirred for 24 hours. Upon completion of the reaction, the solids were separated by filtration and washed with ether. Zinc powder (0.5 g) and 10% hydrochloric acid solution (5 mL) were added to the resulting solid under cooling conditions in an ice water bath. After stirring for 1 h, the reaction mixture was extracted with ethyl acetate. The organic layers were combined, washed sequentially with water and saturated saline and dried over anhydrous sodium sulfate. The solvent was removed by concentration under reduced pressure to give the crude product of p-fluorothiophenol of satisfactory purity. For part of the relatively stable product, it can be further purified by column chromatography.

[References]

[1] Tetrahedron Letters, 2011, vol. 52, # 2, p. 205 - 208
[2] Chemische Berichte, 1939, vol. 72, p. 594
[3] Journal of the Chemical Society, 1962, p. 1062 - 1067
Spectrum DetailBack Directory
[Spectrum Detail]

4-Fluorothiophenol(371-42-6)MS
4-Fluorothiophenol(371-42-6)1HNMR
4-Fluorothiophenol(371-42-6)IR1
4-Fluorothiophenol(371-42-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Fluorothiophenol, 97%(371-42-6)
[Alfa Aesar]

4-Fluorothiophenol, 98+% (dry wt.), water <7%(371-42-6)
[Sigma Aldrich]

371-42-6(sigmaaldrich)
[TCI AMERICA]

4-Fluorobenzenethiol,>96.0%(GC)(371-42-6)
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