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77380-28-0

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77380-28-0 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 77380-28-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,7,3,8 and 0 respectively; the second part has 2 digits, 2 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 77380-28:
(7*7)+(6*7)+(5*3)+(4*8)+(3*0)+(2*2)+(1*8)=150
150 % 10 = 0
So 77380-28-0 is a valid CAS Registry Number.
InChI:InChI=1/C6H4F2S/c7-4-1-2-5(8)6(9)3-4/h1-3,9H/p-1

77380-28-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,5-difluorobenzenethiol

1.2 Other means of identification

Product number -
Other names Benzenethiol,2,5-difluoro

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:77380-28-0 SDS

77380-28-0Synthetic 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%
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

77380-28-0Relevant articles and documents

Catalytic transfer hydrogenation of aryl sulfo compounds

Chen, Xinzhi,Zhou, Shaodong,Qian, Chao

experimental part, p. 179 - 185 (2012/05/21)

A new method to reduce aryl sulfo compounds via transfer hydrogenation was investigated, using Pd/C as a catalyst, and 2-propanol or formic acid as hydrogen sources. This new process is simple and clean.

Tricyclic psychotropic agents containing two chalcogen atoms in the central ring: 2-fluoro-8-substituted 6-(4-piperidyl)-6H-dibenz[b,e]-1,4-oxathiepins

Sindelar,Holubek,Svatek,et al.

, p. 3114 - 3133 (2007/10/02)

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