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Cas Database |
| Name |
2,5-Difluorothiophenol |
EINECS | N/A |
| CAS No. | 77380-28-0 | Density | 1.323 g/cm3 |
| PSA | 38.80000 | LogP | 2.25350 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H4F2S | Boiling Point | 162.4 ºC at 760 mmHg |
| Molecular Weight | 146.161 | Flash Point | 56.4 ºC |
| Transport Information | N/A | Appearance | colorless to light yellow liquid |
| Safety | Risk Codes | 22 | |
| Molecular Structure |
|
Hazard Symbols | Xn |
| Synonyms |
2,5-Difluorobenzenethiol;2,5-Difluorothiophenol; |
Article Data | 4 |
2,5-Difluorothiophenol Synthetic route
- 26120-86-5
2,5-difluorobenzenesulfonyl chloride
- 77380-28-0
2,5-Difluorothiophenol
| Conditions | Yield |
|---|---|
| With formic acid; 6% Pd/C; triphenylphosphine at 60℃; for 8h; | 87% |
| With potassium formate at 200℃; for 7h; neat (no solvent); | 68% |
- 77380-28-0
2,5-Difluorothiophenol
| Conditions | Yield |
|---|---|
| With 6% Pd/C; iodine; triphenylphosphine; isopropyl alcohol for 10h; Reflux; | 85% |
- 367-30-6
2,5-difluoroaniline
- 77380-28-0
2,5-Difluorothiophenol
| Conditions | Yield |
|---|---|
| Yield given. Multistep reaction; |
- 107-94-8
chloropropionic acid
- 77380-28-0
2,5-Difluorothiophenol
- 926232-57-7
3-((2,5-difluorophenyl)thio)propanoic acid
| Conditions | Yield |
|---|---|
| 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% |
- 83975-70-6
2-Chloro-5-(trifluoromethylthio)benzaldehyde
- 77380-28-0
2,5-Difluorothiophenol
- 83975-71-7
5-(Trifluoromethylthio)-2-(2,5-difluorophenylthio)benzaldehyde
| Conditions | Yield |
|---|---|
| With sodium hydroxide In N,N,N,N,N,N-hexamethylphosphoric triamide at 100℃; for 5.5h; | 75% |
- 6361-23-5
2,5-dichloro-benzaldehyde
- 77380-28-0
2,5-Difluorothiophenol
- 83975-59-1
5-Chloro-2-(2,5-difluorophenylthio)benzaldehyde
| Conditions | Yield |
|---|---|
| With sodium hydroxide In N,N,N,N,N,N-hexamethylphosphoric triamide at 100℃; for 5.5h; | 74% |
- 18698-96-9
o-iodophenylacetic acid
- 77380-28-0
2,5-Difluorothiophenol
- 77380-29-1
<2-(2,5-difluorophenylthio)phenyl>acetic acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide; copper In water for 16h; Heating; | 64% |
- 7507-86-0
2-bromo-5-methoxy-benzaldehyde
- 77380-28-0
2,5-Difluorothiophenol
A
- 84884-56-0
2-(2,5-difluorophenylthio)-5-hydroxybenzaldehyde
B
- 83975-63-7
2-(2,5-Difluorophenylthio)-5-methoxybenzaldehyde
| Conditions | Yield |
|---|---|
| With copper In N,N-dimethyl-formamide at 150℃; for 6h; | A 2.8 g B 39% |
- 77380-28-0
2,5-Difluorothiophenol
- 1080636-88-9
(3-(benzyloxy)cyclobutyl)(2,5-difluorophenyl)sulfane
| Conditions | Yield |
|---|---|
| With caesium carbonate In N,N-dimethyl-formamide at 100℃; for 12h; | 12% |
- 77380-28-0
2,5-Difluorothiophenol
- 77380-34-8
1,4-difluorodibenzothiepin
| Conditions | Yield |
|---|---|
| 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 Chemical Properties
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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 .
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