Product Name

  • Name

    2,5-DIFLUORO THIOPHENOL

  • EINECS
  • CAS No. 77380-28-0
  • Article Data4
  • CAS DataBase
  • Density 1.323 g/cm3
  • Solubility
  • Melting Point
  • Formula C6H4F2S
  • Boiling Point 162.4 ºC at 760 mmHg
  • Molecular Weight 146.161
  • Flash Point 56.4 ºC
  • Transport Information
  • Appearance colorless to light yellow liquid
  • Safety
  • Risk Codes 22
  • Molecular Structure Molecular Structure of 77380-28-0 (2,5-DIFLUORO THIOPHENOL)
  • Hazard Symbols Xn
  • Synonyms 2,5-Difluorobenzenethiol;2,5-Difluorothiophenol;
  • PSA 38.80000
  • LogP 2.25350

Synthetic route

2,5-difluorobenzenesulfonyl chloride
26120-86-5

2,5-difluorobenzenesulfonyl chloride

2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

Conditions
ConditionsYield
With formic acid; 6% Pd/C; triphenylphosphine at 60℃; for 8h;87%
With potassium formate at 200℃; for 7h; neat (no solvent);68%
2,5-Difluoro-benzenesulfonic acid

2,5-Difluoro-benzenesulfonic acid

2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

Conditions
ConditionsYield
With 6% Pd/C; iodine; triphenylphosphine; isopropyl alcohol for 10h; Reflux;85%
2,5-difluoroaniline
367-30-6

2,5-difluoroaniline

2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

Conditions
ConditionsYield
Yield given. Multistep reaction;
chloropropionic acid
107-94-8

chloropropionic acid

2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

3-((2,5-difluorophenyl)thio)propanoic acid
926232-57-7

3-((2,5-difluorophenyl)thio)propanoic acid

Conditions
ConditionsYield
Stage #1: 2,5-Difluorothiophenol With sodium hydroxide In water at 0℃; for 0.0833333h;
Stage #2: chloropropionic acid In water at 70℃;
Stage #3: With hydrogenchloride In water at 0℃;		100%
2-Chloro-5-(trifluoromethylthio)benzaldehyde
83975-70-6

2-Chloro-5-(trifluoromethylthio)benzaldehyde

2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

5-(Trifluoromethylthio)-2-(2,5-difluorophenylthio)benzaldehyde
83975-71-7

5-(Trifluoromethylthio)-2-(2,5-difluorophenylthio)benzaldehyde

Conditions
ConditionsYield
With sodium hydroxide In N,N,N,N,N,N-hexamethylphosphoric triamide at 100℃; for 5.5h;75%
2,5-dichloro-benzaldehyde
6361-23-5

2,5-dichloro-benzaldehyde

2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

5-Chloro-2-(2,5-difluorophenylthio)benzaldehyde
83975-59-1

5-Chloro-2-(2,5-difluorophenylthio)benzaldehyde

Conditions
ConditionsYield
With sodium hydroxide In N,N,N,N,N,N-hexamethylphosphoric triamide at 100℃; for 5.5h;74%
o-iodophenylacetic acid
18698-96-9

o-iodophenylacetic acid

2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

<2-(2,5-difluorophenylthio)phenyl>acetic acid
77380-29-1

<2-(2,5-difluorophenylthio)phenyl>acetic acid

Conditions
ConditionsYield
With potassium hydroxide; copper In water for 16h; Heating;64%
2-bromo-5-methoxy-benzaldehyde
7507-86-0

2-bromo-5-methoxy-benzaldehyde

2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

A

2-(2,5-difluorophenylthio)-5-hydroxybenzaldehyde
84884-56-0

2-(2,5-difluorophenylthio)-5-hydroxybenzaldehyde

B

2-(2,5-Difluorophenylthio)-5-methoxybenzaldehyde
83975-63-7

2-(2,5-Difluorophenylthio)-5-methoxybenzaldehyde

Conditions
ConditionsYield
With copper In N,N-dimethyl-formamide at 150℃; for 6h;A 2.8 g
B 39%
...Expand
3-(benzyloxy)cyclobutyl sulfochloridate

3-(benzyloxy)cyclobutyl sulfochloridate

2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

(3-(benzyloxy)cyclobutyl)(2,5-difluorophenyl)sulfane
1080636-88-9

(3-(benzyloxy)cyclobutyl)(2,5-difluorophenyl)sulfane

Conditions
ConditionsYield
With caesium carbonate In N,N-dimethyl-formamide at 100℃; for 12h;12%
2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

1,4-difluorodibenzothiepin
77380-34-8

1,4-difluorodibenzothiepin

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 64 percent / KOH, Cu / H2O / 16 h / Heating
2: 3.60 g / polyphosphoric acid / 2.5 h / 120 - 125 °C
3: 94 percent / NaBH4, aq. NaOH / ethanol; benzene / 4 h / Heating
4: 97 percent / HCl, CaCl2 / benzene / Ambient temperature
5: 21 percent / CHCl3 / 8 h / Heating
View Scheme
2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

6,9-difluorodibenzothiepin-10(11H)-one
77380-30-4

6,9-difluorodibenzothiepin-10(11H)-one

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 64 percent / KOH, Cu / H2O / 16 h / Heating
2: 3.60 g / polyphosphoric acid / 2.5 h / 120 - 125 °C
View Scheme
2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

8-chloro-2-fluoro-6H-dibenz-1,4-oxathiepin
84884-57-1

8-chloro-2-fluoro-6H-dibenz-1,4-oxathiepin

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 74 percent / NaOH / hexamethylphosphoric acid triamide / 5.5 h / 100 °C
2: 1) Mg / 1) THF, 2) THF, reflux, 2 h
3: 1.75 g / NaH / dimethylformamide / 1) RT, 2 h; 2) 50 deg C, 14 h
View Scheme
2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

11-chloro-1,4-difluoro-10,11-dihydrodibenzothiepin
77380-33-7

11-chloro-1,4-difluoro-10,11-dihydrodibenzothiepin

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 64 percent / KOH, Cu / H2O / 16 h / Heating
2: 3.60 g / polyphosphoric acid / 2.5 h / 120 - 125 °C
3: 94 percent / NaBH4, aq. NaOH / ethanol; benzene / 4 h / Heating
4: 97 percent / HCl, CaCl2 / benzene / Ambient temperature
View Scheme
2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

6,9-difluoro-10,11-dihydrodibenzothiepin-10-ol
77380-32-6

6,9-difluoro-10,11-dihydrodibenzothiepin-10-ol

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 64 percent / KOH, Cu / H2O / 16 h / Heating
2: 3.60 g / polyphosphoric acid / 2.5 h / 120 - 125 °C
3: 94 percent / NaBH4, aq. NaOH / ethanol; benzene / 4 h / Heating
View Scheme
2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

2-fluoro-8-methoxy-6-(1-methyl-4-piperidyl)-6H-dibenz-1,4-oxathiepin
84884-60-6

2-fluoro-8-methoxy-6-(1-methyl-4-piperidyl)-6H-dibenz-1,4-oxathiepin

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 39 percent / Cu / dimethylformamide / 6 h / 150 °C
2: 1) Mg / 1) THF, reflux, 1.5 h; 2) THF, reflux, 3 h
3: 1.06 g / NaH / dimethylformamide; tetrahydrofuran / 11 h / 70 °C
View Scheme
2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

[5-Chloro-2-(2,5-difluoro-phenylsulfanyl)-phenyl]-(1-methyl-piperidin-4-yl)-methanol
83986-23-6

[5-Chloro-2-(2,5-difluoro-phenylsulfanyl)-phenyl]-(1-methyl-piperidin-4-yl)-methanol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 74 percent / NaOH / hexamethylphosphoric acid triamide / 5.5 h / 100 °C
2: 1) Mg / 1) THF, 2) THF, reflux, 2 h
View Scheme
2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

[2-(2,5-Difluoro-phenylsulfanyl)-5-trifluoromethylsulfanyl-phenyl]-(1-methyl-piperidin-4-yl)-methanol
83975-66-0

[2-(2,5-Difluoro-phenylsulfanyl)-5-trifluoromethylsulfanyl-phenyl]-(1-methyl-piperidin-4-yl)-methanol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 75 percent / NaOH / hexamethylphosphoric acid triamide / 5.5 h / 100 °C
2: 1) Mg
View Scheme
2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

6,9-difluoro-11-<2-(2,5-difluorophenylthio)phenyl>acetyldibenzothiepin-10-ol
77380-31-5

6,9-difluoro-11-<2-(2,5-difluorophenylthio)phenyl>acetyldibenzothiepin-10-ol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 64 percent / KOH, Cu / H2O / 16 h / Heating
2: 0.25 g / polyphosphoric acid / 2.5 h / 120 - 125 °C
View Scheme
2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

4-(2-Chloro-7-fluoro-11H-10-oxa-5-thia-dibenzo[a,d]cyclohepten-11-yl)-1-methyl-piperidine; hydrochloride
84884-58-2

4-(2-Chloro-7-fluoro-11H-10-oxa-5-thia-dibenzo[a,d]cyclohepten-11-yl)-1-methyl-piperidine; hydrochloride

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 74 percent / NaOH / hexamethylphosphoric acid triamide / 5.5 h / 100 °C
2: 1) Mg / 1) THF, 2) THF, reflux, 2 h
3: 36 percent / NaH / dimethylformamide / 1) RT, 2 h; 2) 50 deg C, 14 h
4: 0.35 g / 1) ethyl chloroformate, 2) KOH / 1) benzene, reflux, 1.5 h; 2) ethanol, 125 deg C, 2 h
View Scheme
2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

8-Chloro-2-fluoro-6-(4-piperidyl)-6H-dibenz-1,4-oxathiepin
83975-78-4

8-Chloro-2-fluoro-6-(4-piperidyl)-6H-dibenz-1,4-oxathiepin

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 74 percent / NaOH / hexamethylphosphoric acid triamide / 5.5 h / 100 °C
2: 1) Mg / 1) THF, 2) THF, reflux, 2 h
3: 36 percent / NaH / dimethylformamide / 1) RT, 2 h; 2) 50 deg C, 14 h
4: 1) ethyl chloroformate, 2) KOH / 1) benzene, reflux, 1.5 h; 2) ethanol, 125 deg C, 2 h
View Scheme
2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

2-fluoro-8-methoxy-6H-dibenz-1,4-oxathiepin
83975-60-4

2-fluoro-8-methoxy-6H-dibenz-1,4-oxathiepin

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 39 percent / Cu / dimethylformamide / 6 h / 150 °C
2: 1) Mg / 1) THF, reflux, 1.5 h; 2) THF, reflux, 3 h
3: 61 percent / NaH / dimethylformamide; tetrahydrofuran / 11 h / 70 °C
View Scheme
2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

8-Chloro-2-fluoro-6-(1-methyl-4-piperidyl)-6H-dibenz-1,4-oxathiepin
83986-22-5

8-Chloro-2-fluoro-6-(1-methyl-4-piperidyl)-6H-dibenz-1,4-oxathiepin

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 74 percent / NaOH / hexamethylphosphoric acid triamide / 5.5 h / 100 °C
2: 1) Mg / 1) THF, 2) THF, reflux, 2 h
3: 36 percent / NaH / dimethylformamide / 1) RT, 2 h; 2) 50 deg C, 14 h
View Scheme
2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

1,4-difluoro-11-(4-methylpiperazino)-10,11-dihydrodibenzothiepin
77380-35-9

1,4-difluoro-11-(4-methylpiperazino)-10,11-dihydrodibenzothiepin

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 64 percent / KOH, Cu / H2O / 16 h / Heating
2: 3.60 g / polyphosphoric acid / 2.5 h / 120 - 125 °C
3: 94 percent / NaBH4, aq. NaOH / ethanol; benzene / 4 h / Heating
4: 97 percent / HCl, CaCl2 / benzene / Ambient temperature
5: 67 percent / CHCl3 / 8 h / Heating
View Scheme
2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

2-(2,5-Difluorophenylthio)-5-methoxy-α-(1-methyl-4-piperidyl)benzyl Alcohol
83975-61-5

2-(2,5-Difluorophenylthio)-5-methoxy-α-(1-methyl-4-piperidyl)benzyl Alcohol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 39 percent / Cu / dimethylformamide / 6 h / 150 °C
2: 1) Mg / 1) THF, reflux, 1.5 h; 2) THF, reflux, 3 h
View Scheme
2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

8-Chloro-2-fluoro-6-<1-(2-hydroxyethyl)-4-piperidyl>-6H-dibenz-1,4-oxathiepin
83975-82-0

8-Chloro-2-fluoro-6-<1-(2-hydroxyethyl)-4-piperidyl>-6H-dibenz-1,4-oxathiepin

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 74 percent / NaOH / hexamethylphosphoric acid triamide / 5.5 h / 100 °C
2: 1) Mg / 1) THF, 2) THF, reflux, 2 h
3: 36 percent / NaH / dimethylformamide / 1) RT, 2 h; 2) 50 deg C, 14 h
4: 1) ethyl chloroformate, 2) KOH / 1) benzene, reflux, 1.5 h; 2) ethanol, 125 deg C, 2 h
5: 69 percent / K2CO3 / acetone / 6 h / Heating
View Scheme
2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

2-Fluoro-8-(trifluoromethylthio)-6-(1-methyl-4-piperidyl)-6H-dibenz-1,4-oxathiepin
83975-65-9

2-Fluoro-8-(trifluoromethylthio)-6-(1-methyl-4-piperidyl)-6H-dibenz-1,4-oxathiepin

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 75 percent / NaOH / hexamethylphosphoric acid triamide / 5.5 h / 100 °C
2: 1) Mg
3: 21 percent / NaH / dimethylformamide / 15 h / 70 °C
View Scheme
2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

8-Chloro-6-<1-(2-decanoyloxyethyl)-4-piperidyl>-2-fluoro-6H-dibenz-1,4-oxathiepin
83975-88-6

8-Chloro-6-<1-(2-decanoyloxyethyl)-4-piperidyl>-2-fluoro-6H-dibenz-1,4-oxathiepin

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: 74 percent / NaOH / hexamethylphosphoric acid triamide / 5.5 h / 100 °C
2: 1) Mg / 1) THF, 2) THF, reflux, 2 h
3: 36 percent / NaH / dimethylformamide / 1) RT, 2 h; 2) 50 deg C, 14 h
4: 1) ethyl chloroformate, 2) KOH / 1) benzene, reflux, 1.5 h; 2) ethanol, 125 deg C, 2 h
5: 69 percent / K2CO3 / acetone / 6 h / Heating
6: 55 percent / xylene / 6 h / Heating
View Scheme
2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

6,9-difluoro-4H-thieno[3,2-c]thiochromene-2-carboxylic acid
1415214-29-7

6,9-difluoro-4H-thieno[3,2-c]thiochromene-2-carboxylic acid

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1.1: sodium hydroxide / water / 0.08 h / 0 °C
1.2: 70 °C
1.3: 0 °C
2.1: oxalyl dichloride / N,N-dimethyl-formamide / dichloromethane / 0 - 20 °C
3.1: aluminum (III) chloride / dichloromethane / 0 - 20 °C / Inert atmosphere
3.2: Cooling with ice
4.1: trichlorophosphate / 2 h / 0 - 80 °C
5.1: sodium ethanolate / ethanol / 0 - 70 °C
6.1: sodium hydroxide; water / tetrahydrofuran / 3 h / 60 - 68 °C
6.2: 20 °C / pH 2
View Scheme
2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

ethyl 6,9-difluoro-4H-thieno[3,2-c]thiochromene-2-carboxylate
1415214-28-6

ethyl 6,9-difluoro-4H-thieno[3,2-c]thiochromene-2-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: sodium hydroxide / water / 0.08 h / 0 °C
1.2: 70 °C
1.3: 0 °C
2.1: oxalyl dichloride / N,N-dimethyl-formamide / dichloromethane / 0 - 20 °C
3.1: aluminum (III) chloride / dichloromethane / 0 - 20 °C / Inert atmosphere
3.2: Cooling with ice
4.1: trichlorophosphate / 2 h / 0 - 80 °C
5.1: sodium ethanolate / ethanol / 0 - 70 °C
View Scheme
2,5-Difluorothiophenol
77380-28-0

2,5-Difluorothiophenol

5,8-difluorothiochroman-4-one
1153968-35-4

5,8-difluorothiochroman-4-one

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: sodium hydroxide / water / 0.08 h / 0 °C
1.2: 70 °C
1.3: 0 °C
2.1: oxalyl dichloride / N,N-dimethyl-formamide / dichloromethane / 0 - 20 °C
3.1: aluminum (III) chloride / dichloromethane / 0 - 20 °C / Inert atmosphere
3.2: Cooling with ice
View Scheme

2,5-Difluorothiophenol Chemical Properties


Systematic Name: 2,5-Difluorobenzenethiol
SMILES: Fc1cc(S)c(F)cc1
InChI: InChI=1/C6H4F2S/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
InChIKey: PQRVQUXEBQKVEQ-UHFFFAOYAN 
Empirical Formula: C6H4F2S
Molecular Weight: 146.1578
Nominal Mass: 146
Average Mass: 146.1578
Monoisotopic Mass: 146.000177 
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 1
Index of Refraction: 1.535
Molar Refractivity: 34.41 cm3
Molar Volume: 110.4 cm3
Surface Tension: 35.7 dyne/cm
Density: 1.323 g/cm3
Flash Point: 56.4 °C
Enthalpy of Vaporization: 38.26 kJ/mol
Boiling Point: 162.4 °C at 760 mmHg
Vapour Pressure: 2.83 mmHg at 25 °C
Product Categories of Benzenethiol,2,5-difluoro- (CAS NO.77380-28-0): THIOL; HALIDE; Phenol & Thiophenol & Mercaptan

2,5-Difluorothiophenol Specification

 Benzenethiol,2,5-difluoro- (CAS NO.77380-28-0), its Synonyms are 2,5-Difluorothiophenol ; 2,5-Difluorobenzenethiol ; 2,5-Difluorophenyl mercaptan .

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View