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| CAS No.: | 655-20-9 |
|---|---|
| Name: | 2-Fluorothioanisole |
| Molecular Structure: | |
|
|
|
| Formula: | C7H7FS |
| Molecular Weight: | 142.197 |
| Synonyms: | Sulfide,o-fluorophenyl methyl (6CI,7CI,8CI);2-Fluorophenyl methyl sulfide;o-Fluorophenyl methyl sulfide; |
| Density: | 1.13 g/cm3 |
| Boiling Point: | 172 °C at 760 mmHg |
| Flash Point: | 57.8 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | R36/37/38 |
| Safety: | S26;S36 |
| PSA: | 25.30000 |
| LogP: | 2.54760 |
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Chemistry
Molecular Structure of 2-Fluorothioanisole (CAS NO.655-20-9):
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Empirical Formula: C7H7FS
Molecular Weight: 142.1939
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 25.3Å2
Index of Refraction: 1.544
Molar Refractivity: 39.5 cm3
Molar Volume: 125.1 cm3
Surface Tension: 34.5 dyne/cm
Density: 1.13 g/cm3
Flash Point: 57.8 °C
Enthalpy of Vaporization: 39.16 kJ/mol
Boiling Point: 172 °C at 760 mmHg
Vapour Pressure: 1.81 mmHg at 25°C
Sensitive: Stench
SMILES: Fc1ccccc1SC
InChI: InChI=1/C7H7FS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant/Stench
HazardClass: Irritant/Stench
Specification
2-Fluorothioanisole , with CAS number of 655-20-9, can be called benzene, 1-fluoro-2-(methylthio)- ; 1-Fluoro-2-(methylsulfanyl)benzene ; 2-Fluorophenyl methyl sulfide .