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Cas Database |
| Name |
2-Fluorothiophenol |
EINECS | N/A |
| CAS No. | 2557-78-0 | Density | 1.206 g/cm3 |
| PSA | 38.80000 | LogP | 2.11440 |
| Solubility | N/A | Melting Point |
N/A |
| 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 |
|
Hazard Symbols |
 Xi;  T
|
| Synonyms |
Benzenethiol,o-fluoro- (7CI,8CI);(2-Fluorophenyl)thiol;2-Fluorobenzenethiol;o-Fluorobenzenethiol;Benzenethiol, 2-fluoro-; |
Article Data | 8 |
2-Fluorothiophenol Synthetic route
| Conditions | Yield |
|---|---|
| at 20℃; Rate constant; pH=11; |
| Conditions | Yield |
|---|---|
| With perchloric acid; sodium perborate; acetic acid at 24.9℃; Rate constant; Thermodynamic data; Mechanism; var. temp., ΔH(excit.), ΔS(excit.); |
| Conditions | Yield |
|---|---|
| (i) NaNO2, aq. H2SO4, (ii) EtOCS2K, Na2B4O7, (iii) KOH, EtOH; Multistep reaction; | |
| Multistep reaction; |
| Conditions | Yield |
|---|---|
| With perchloric acid; pyridinium chlorochromate In water; acetic acid at 24.85 - 44.85℃; Kinetics; Oxidation; |
| Conditions | Yield |
|---|---|
| With pyridine In dichloromethane at 20℃; for 2h; | 100% |
- 2557-78-0
2-fluorothiophenol
- 206193-17-1
(2R)-3-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
| Conditions | Yield |
|---|---|
| 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% |
- 2557-78-0
2-fluorothiophenol
- 14135-38-7
bis(2-fluorophenyl) disulfide
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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% |
- 934281-62-6
methyl 1-((2-acetoxyethoxy)methyl)-5-bromo-1H-1,2,4-triazole-3-carboxylate
- 2557-78-0
2-fluorothiophenol
- 1237741-60-4
C15H16FN3O5S
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetonitrile at 100℃; for 0.5h; Inert atmosphere; Microwave irradiation; | 99% |
- 2557-78-0
2-fluorothiophenol
- 6011-14-9
2-aminoacetonitrile hydrochloride
- 61081-27-4
2-((2-fluorophenyl)thio)acetonitrile
| Conditions | Yield |
|---|---|
| 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 Chemical Properties
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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: 
T,
Xi
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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