Product Name

  • Name

    2-Fluorothiophenol

  • EINECS
  • CAS No. 2557-78-0
  • Article Data8
  • CAS DataBase
  • Density 1.206 g/cm3
  • Solubility
  • Melting Point
  • Formula C6H5FS
  • Boiling Point 162.7 °C at 760 mmHg
  • Molecular Weight 128.17
  • Flash Point 56.5 °C
  • Transport Information UN 1993 3/PG 3
  • Appearance clear colorless to light yellow liquid
  • Safety 16-26-36-36/37/39-27
  • Risk Codes 10-36/37/38
  • Molecular Structure Molecular Structure of 2557-78-0 (2-Fluorothiophenol)
  • Hazard Symbols IrritantXi; ToxicT
  • Synonyms Benzenethiol,o-fluoro- (7CI,8CI);(2-Fluorophenyl)thiol;2-Fluorobenzenethiol;o-Fluorobenzenethiol;Benzenethiol, 2-fluoro-;
  • PSA 38.80000
  • LogP 2.11440

Synthetic route

[Dimethylamino-(2-fluoro-phenylsulfanyl)-methylene]-dimethyl-ammonium; iodide

[Dimethylamino-(2-fluoro-phenylsulfanyl)-methylene]-dimethyl-ammonium; iodide

A

2-fluorothiophenol
2557-78-0

2-fluorothiophenol

B

tetramethylurea
632-22-4

tetramethylurea

Conditions
ConditionsYield
at 20℃; Rate constant; pH=11;
o-Fluorophenylthioglycolic acid
705-02-2

o-Fluorophenylthioglycolic acid

A

2-fluorothiophenol
2557-78-0

2-fluorothiophenol

B

Glyoxilic acid
298-12-4

Glyoxilic acid

Conditions
ConditionsYield
With perchloric acid; sodium perborate; acetic acid at 24.9℃; Rate constant; Thermodynamic data; Mechanism; var. temp., ΔH(excit.), ΔS(excit.);
2-Fluoroaniline
348-54-9

2-Fluoroaniline

2-fluorothiophenol
2557-78-0

2-fluorothiophenol

Conditions
ConditionsYield
(i) NaNO2, aq. H2SO4, (ii) EtOCS2K, Na2B4O7, (iii) KOH, EtOH; Multistep reaction;
Multistep reaction;
o-Fluorophenylthioglycolic acid
705-02-2

o-Fluorophenylthioglycolic acid

2-fluorothiophenol
2557-78-0

2-fluorothiophenol

Conditions
ConditionsYield
With perchloric acid; pyridinium chlorochromate In water; acetic acid at 24.85 - 44.85℃; Kinetics; Oxidation;
2,2-difluoroacetic anhydride
401-67-2

2,2-difluoroacetic anhydride

2-fluorothiophenol
2557-78-0

2-fluorothiophenol

C8H5F3OS

C8H5F3OS

Conditions
ConditionsYield
With pyridine In dichloromethane at 20℃; for 2h;100%
2-fluorothiophenol
2557-78-0

2-fluorothiophenol

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

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

C18H14F4N2O2S

C18H14F4N2O2S

Conditions
ConditionsYield
Stage #1: 2-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%
2-fluorothiophenol
2557-78-0

2-fluorothiophenol

bis(2-fluorophenyl) disulfide
14135-38-7

bis(2-fluorophenyl) disulfide

Conditions
ConditionsYield
With N,N,N,N,-tetramethylethylenediamine; oxygen; eosin y In ethanol for 0.333333h; Irradiation;99%
With (bis(2,1-phenylene)bis(azanediyl)bis(methylene)diphenol)diselenide In acetonitrile at 20℃; for 7h;89%
With sodium perborate In methanol; water for 2h; Ambient temperature;82%
cyclohexenone
930-68-7

cyclohexenone

2-fluorothiophenol
2557-78-0

2-fluorothiophenol

(S)-3-(2-fluorophenylthio)cyclohexanone
1215843-23-4

(S)-3-(2-fluorophenylthio)cyclohexanone

Conditions
ConditionsYield
With 1-(3,5-bis(trifluoromethyl)phenyl)-3-((S)-(6-methoxyquinolin-4-yl)((2S,4S,8R)-8-vinylquinuclidin-2-yl)methyl)urea In toluene at 20℃; for 5h; Michael addition; optical yield given as %ee; enantioselective reaction;99%
methyl 1-((2-acetoxyethoxy)methyl)-5-bromo-1H-1,2,4-triazole-3-carboxylate
934281-62-6

methyl 1-((2-acetoxyethoxy)methyl)-5-bromo-1H-1,2,4-triazole-3-carboxylate

2-fluorothiophenol
2557-78-0

2-fluorothiophenol

C15H16FN3O5S
1237741-60-4

C15H16FN3O5S

Conditions
ConditionsYield
With potassium carbonate In acetonitrile at 100℃; for 0.5h; Inert atmosphere; Microwave irradiation;99%
2-fluorothiophenol
2557-78-0

2-fluorothiophenol

2-aminoacetonitrile hydrochloride
6011-14-9

2-aminoacetonitrile hydrochloride

2-((2-fluorophenyl)thio)acetonitrile
61081-27-4

2-((2-fluorophenyl)thio)acetonitrile

Conditions
ConditionsYield
Stage #1: 2-aminoacetonitrile hydrochloride With FeCl(tiprp); sodium nitrite In toluene at 55℃; Inert atmosphere; Flow reactor;
Stage #2: 2-fluorothiophenol In toluene at 20℃; for 3h; Inert atmosphere;		99%
2-fluorothiophenol
2557-78-0

2-fluorothiophenol

benzenesufonyl hydrazide
80-17-1

benzenesufonyl hydrazide

S-(2-fluorophenyl) benzenesulfonothioate
1394124-47-0

S-(2-fluorophenyl) benzenesulfonothioate

Conditions
ConditionsYield
With tert.-butylhydroperoxide; sodium iodide In acetonitrile at 20℃; for 12h;99%
2-fluorothiophenol
2557-78-0

2-fluorothiophenol

2-fluorobenzenesulfenyl chloride

2-fluorobenzenesulfenyl chloride

Conditions
ConditionsYield
With sulfuryl dichloride In dichloromethane at 0 - 20℃; for 16h;98%
With thionyl chloride In dichloromethane at 0℃; for 1h;
With sulfuryl dichloride In dichloromethane at 0℃;7.94 g
2-fluorothiophenol
2557-78-0

2-fluorothiophenol

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

1-(tert-butoxycarbonyl)piperidin-4-yl methanesulfonate

tert-butyl 4-((2-fluorophenyl)thio)piperidine-1-carboxylate

tert-butyl 4-((2-fluorophenyl)thio)piperidine-1-carboxylate

Conditions
ConditionsYield
With potassium carbonate In acetonitrile at 80℃;98%
With potassium carbonate In acetonitrile at 80℃;98%
With potassium carbonate In acetonitrile at 80℃;98%
1-ethynylnaphthalene
15727-65-8

1-ethynylnaphthalene

2-fluorothiophenol
2557-78-0

2-fluorothiophenol

C18H13FS

C18H13FS

Conditions
ConditionsYield
With pyridine; eosin y In N,N-dimethyl-formamide at 40℃; for 6h; Irradiation; regioselective reaction;98%
2-fluorothiophenol
2557-78-0

2-fluorothiophenol

2-chloro-5-(trifluoromethyl)benzaldehyde
82386-89-8

2-chloro-5-(trifluoromethyl)benzaldehyde

2-(2-Fluorophenylthio)-5-trifluoromethylbenzaldehyde
83986-21-4

2-(2-Fluorophenylthio)-5-trifluoromethylbenzaldehyde

Conditions
ConditionsYield
With sodium hydroxide In N,N,N,N,N,N-hexamethylphosphoric triamide at 100℃; for 6h;97%
1-methylindole
603-76-9

1-methylindole

formaldehyd
50-00-0

formaldehyd

2-fluorothiophenol
2557-78-0

2-fluorothiophenol

3-(((2-fluorophenyl)thio)methyl)-1-methyl-1H-indole

3-(((2-fluorophenyl)thio)methyl)-1-methyl-1H-indole

Conditions
ConditionsYield
With ethylenediamine In water at 130℃; for 4h; Green chemistry;97%
...Expand
methanesulfonic acid 2-[1-(4-methoxy-phenyl)-3-methyl-5-oxo-1,5-dihydro-[1,2,4]triazol-4yl]-ethyl ester
1001077-60-6

methanesulfonic acid 2-[1-(4-methoxy-phenyl)-3-methyl-5-oxo-1,5-dihydro-[1,2,4]triazol-4yl]-ethyl ester

2-fluorothiophenol
2557-78-0

2-fluorothiophenol

4-[2-(2-fluoro-phenylsulfanyl)-ethyl]-2-(4-methoxy-phenyl)-5-methyl-2,4-dihydro-[1,2,4]triazol-3-one
1236442-44-6

4-[2-(2-fluoro-phenylsulfanyl)-ethyl]-2-(4-methoxy-phenyl)-5-methyl-2,4-dihydro-[1,2,4]triazol-3-one

Conditions
ConditionsYield
With copper(l) iodide; caesium carbonate In N,N-dimethyl-formamide at 100℃;96%
2-fluorothiophenol
2557-78-0

2-fluorothiophenol

3-iodoindazole
66607-27-0

3-iodoindazole

3-[(2-fluorophenyl)sulphanyl]-1H-indazole
1234572-76-9

3-[(2-fluorophenyl)sulphanyl]-1H-indazole

Conditions
ConditionsYield
With potassium carbonate; copper(l) iodide In ethylene glycol; isopropyl alcohol at 130℃; for 20h;96%
2-fluorothiophenol
2557-78-0

2-fluorothiophenol

1,3,5-trimethyl-benzene
108-67-8

1,3,5-trimethyl-benzene

(2-fluorophenyl)(mesityl)sulfane

(2-fluorophenyl)(mesityl)sulfane

Conditions
ConditionsYield
With [bis(acetoxy)iodo]benzene at 20℃; for 0.5h;96%
2-chloro-N6-cyclopentyl-9H-(2,3-O-isopropylidene-5-chloro-5-deoxy-β-D-ribofuranosyl)adenine
1141934-35-1

2-chloro-N6-cyclopentyl-9H-(2,3-O-isopropylidene-5-chloro-5-deoxy-β-D-ribofuranosyl)adenine

2-fluorothiophenol
2557-78-0

2-fluorothiophenol

2-chloro-N6-cyclopentyl-9H-[2,3-O-isopropylidene-5-deoxy-5-(2-fluorophenylthio)-β-D-ribofuranosyl]adenine
1141934-36-2

2-chloro-N6-cyclopentyl-9H-[2,3-O-isopropylidene-5-deoxy-5-(2-fluorophenylthio)-β-D-ribofuranosyl]adenine

Conditions
ConditionsYield
Stage #1: 2-fluorothiophenol With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; Inert atmosphere;
Stage #2: 2-chloro-N6-cyclopentyl-9H-(2,3-O-isopropylidene-5-chloro-5-deoxy-β-D-ribofuranosyl)adenine In N,N-dimethyl-formamide; mineral oil at 20℃; for 5h; Inert atmosphere;		95%
2-fluorothiophenol
2557-78-0

2-fluorothiophenol

Bromoacetaldehyde diethyl acetal
2032-35-1

Bromoacetaldehyde diethyl acetal

2-fluorobenzenethioacetaldehyde diethyl acetal

2-fluorobenzenethioacetaldehyde diethyl acetal

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; Inert atmosphere;95%
1-chloro-4-methanesulfonyl-2-nitrobenzene
97-07-4

1-chloro-4-methanesulfonyl-2-nitrobenzene

2-fluorothiophenol
2557-78-0

2-fluorothiophenol

2-(2-fluorophenylthio)-5-(methylsulfonyl)nitrobenzene
129846-91-9

2-(2-fluorophenylthio)-5-(methylsulfonyl)nitrobenzene

Conditions
ConditionsYield
With potassium carbonate In acetone at 20℃; for 4h;95%
3-Iodoquinoline
79476-07-6

3-Iodoquinoline

2-fluorothiophenol
2557-78-0

2-fluorothiophenol

3-(2-fluorophenylthio)quinoline
1299398-28-9

3-(2-fluorophenylthio)quinoline

Conditions
ConditionsYield
With copper(l) iodide; potassium carbonate; ethylene glycol In isopropyl alcohol at 80℃; for 30h; Inert atmosphere;94%
2-fluorothiophenol
2557-78-0

2-fluorothiophenol

2-fluorobenzenesulfonamide
30058-40-3

2-fluorobenzenesulfonamide

Conditions
ConditionsYield
With tert.-butylhydroperoxide; ammonium hydroxide; iodine In water; acetonitrile at 100℃; for 16h;94%
1-methyl-1-phenylethyl alcohol
617-94-7

1-methyl-1-phenylethyl alcohol

2-fluorothiophenol
2557-78-0

2-fluorothiophenol

2-fluorophenyl 2-phenylpropan-2-yl sulfide

2-fluorophenyl 2-phenylpropan-2-yl sulfide

Conditions
ConditionsYield
With indium(III) triflate In nitromethane at 20℃; for 0.5h; Sealed tube; chemoselective reaction;94%
styrene
100-42-5

styrene

2-fluorothiophenol
2557-78-0

2-fluorothiophenol

acetonitrile
75-05-8

acetonitrile

N-(2-((2-fluorophenyl)sulfanyl)-1-phenylethyl)acetamide

N-(2-((2-fluorophenyl)sulfanyl)-1-phenylethyl)acetamide

Conditions
ConditionsYield
With ammonium peroxydisulfate; sodium iodide In water at 100℃; for 12h;94%
...Expand
2-fluorothiophenol
2557-78-0

2-fluorothiophenol

1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene
21988-87-4

1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene

1,3,5-Tris-(2-fluoro-phenylsulfanylmethyl)-2,4,6-trimethyl-benzene

1,3,5-Tris-(2-fluoro-phenylsulfanylmethyl)-2,4,6-trimethyl-benzene

Conditions
ConditionsYield
Stage #1: 2-fluorothiophenol With sodium ethanolate In ethanol for 0.25h;
Stage #2: 1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene In ethanol for 24h; Heating;		93%
2-fluorothiophenol
2557-78-0

2-fluorothiophenol

ethyl 2H-azirine-3-carboxylate
1253040-22-0

ethyl 2H-azirine-3-carboxylate

ethyl 2-(2-fluorophenylthio)aziridine-2-carboxylate

ethyl 2-(2-fluorophenylthio)aziridine-2-carboxylate

Conditions
ConditionsYield
With C28H28N4O2S In dichloromethane at -78℃; for 0.5h; Sealed tube; enantioselective reaction;93%
3,5,8-trioxabicyclo[5.1.0]octane
286-48-6

3,5,8-trioxabicyclo[5.1.0]octane

2-fluorothiophenol
2557-78-0

2-fluorothiophenol

6-((2-fluorophenyl)thio)-1,3-dioxepan-5-ol

6-((2-fluorophenyl)thio)-1,3-dioxepan-5-ol

Conditions
ConditionsYield
In methanol for 3h; Alkaline conditions;93%
2-fluorothiophenol
2557-78-0

2-fluorothiophenol

diphenylphosphane
829-85-6

diphenylphosphane

((2-fluorophenyl)thio)diphenylphosphane

((2-fluorophenyl)thio)diphenylphosphane

Conditions
ConditionsYield
With tris[2-phenylpyridinato-C2,N]iridium(III); benzaldehyde In acetonitrile under 760.051 Torr; for 12h; Inert atmosphere; Irradiation;93%
With tris[2-phenylpyridinato-C2,N]iridium(III); benzaldehyde In acetonitrile at 25℃; Inert atmosphere; Sealed tube; Irradiation;93%
2-fluorothiophenol
2557-78-0

2-fluorothiophenol

(4S,5S)-2,2-dimethyl-4,5-bis(trifluoromethylsulfonyloxymethyl)-1,3-dioxolane
123136-05-0

(4S,5S)-2,2-dimethyl-4,5-bis(trifluoromethylsulfonyloxymethyl)-1,3-dioxolane

(4R,5R)-4,5-Bis-(2-fluoro-phenylsulfanylmethyl)-2,2-dimethyl-[1,3]dioxolane

(4R,5R)-4,5-Bis-(2-fluoro-phenylsulfanylmethyl)-2,2-dimethyl-[1,3]dioxolane

Conditions
ConditionsYield
Stage #1: 2-fluorothiophenol With sodium hydride In tetrahydrofuran at 25℃; for 1h;
Stage #2: (4S,5S)-2,2-dimethyl-4,5-bis(trifluoromethylsulfonyloxymethyl)-1,3-dioxolane In tetrahydrofuran at 0℃; for 3.5h;		92%
2-fluorothiophenol
2557-78-0

2-fluorothiophenol

(2-methylallyl)triethylgermane
4531-38-8

(2-methylallyl)triethylgermane

triethyl[(o-fluorophenyl)thio]germane

triethyl[(o-fluorophenyl)thio]germane

Conditions
ConditionsYield
With scandium tris(trifluoromethanesulfonate) In acetonitrile at 20℃; for 0.25h;92%
2-fluorothiophenol
2557-78-0

2-fluorothiophenol

(3αS,5αS,9βS)-5α,9-dimethyl-3-methylene-3α,5,5α,9β-tetrahydronaphtho[1,2-β]furan-2,8(3H,4H)-dione
66726-11-2

(3αS,5αS,9βS)-5α,9-dimethyl-3-methylene-3α,5,5α,9β-tetrahydronaphtho[1,2-β]furan-2,8(3H,4H)-dione

3-((2-fluorophenylthio)methyl)-3a,4,5,5a-tetrahydro-5a,9-dimethylnaphtho[1,2-b]furan-2,8(3H,9bH)-dione

3-((2-fluorophenylthio)methyl)-3a,4,5,5a-tetrahydro-5a,9-dimethylnaphtho[1,2-b]furan-2,8(3H,9bH)-dione

Conditions
ConditionsYield
With triethylamine In methanol at 0 - 20℃; for 3.25h; Michael Addition; stereospecific reaction;92%
N-(2-pyrimidyl)indole
221044-05-9

N-(2-pyrimidyl)indole

2-fluorothiophenol
2557-78-0

2-fluorothiophenol

2-((2-fluorophenyl)thio)-1-(pyrimidin-2-yl)-1H-indole

2-((2-fluorophenyl)thio)-1-(pyrimidin-2-yl)-1H-indole

Conditions
ConditionsYield
With indium(III) triflate; carbonyl(pentamethylcyclopentadienyl)cobalt diiodide; copper diacetate; p-benzoquinone In 1,4-dioxane at 60℃; for 5h; Inert atmosphere; Schlenk technique; Glovebox; regioselective reaction;92%

2-Fluorothiophenol Chemical Properties


Systematic Name: 2-Fluorobenzenethiol
SMILES: Fc1ccccc1S
InChI: InChI=1/C6H5FS/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKey: WJTZZPVVTSDNJJ-UHFFFAOYAR 
Empirical Formula: C6H5FS
Molecular Weight: 128.1673
Nominal Mass: 128
Average Mass: 128.1673
Monoisotopic Mass: 128.009598 
Freely Rotating Bonds: 1
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: 56.5 °C
Enthalpy of Vaporization: 38.28 kJ/mol
Boiling Point: 162.7 °C at 760 mmHg
Vapour Pressure: 2.8 mmHg at 25 °C
storage temp.: Flammables area
Sensitive: Stench
Appearance: clear colorless to light yellow liquid
Product Categories of 2-Fluorothiophenol (CAS NO.2557-78-0): Phenol & Thiophenol & Mercaptan; Fluorobenzene; Miscellaneous

2-Fluorothiophenol Safety Profile

Hazard Codes: ToxicT,IrritantXi
Risk Statements:
R10:  Flammable.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements:
S16: Keep away from sources of ignition. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S27: Take off immediately all contaminated clothing.
S36: Wear suitable protective clothing.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. 
RIDADR: UN 1993 3/PG 3
WGK Germany: 3
Hazard Note: Irritant/Stench
HazardClass: 3
PackingGroup of 2-Fluorothiophenol (CAS NO.2557-78-0): III

2-Fluorothiophenol Specification

 2-Fluorothiophenol (CAS NO.2557-78-0), its Synonyms are o-Fluorothiophenol ; 2-Fluoromercaptobenzene ; Benzenethiol,o-fluoro- (7CI,8CI) ; Benzenethiol, 2-fluoro- ; 2-Fluorobenzenethiol .

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