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Cas Database |
| Name |
2-(Trifluoromethyl)thiophenol |
EINECS | -0 |
| CAS No. | 13333-97-6 | Density | 1.314 g/cm3 |
| PSA | 38.80000 | LogP | 2.99410 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H5F3S | Boiling Point | 177.424 °C at 760 mmHg |
| Molecular Weight | 178.178 | Flash Point | 64.024 °C |
| Transport Information | N/A | Appearance | light yellow liquid |
| Safety | 26 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
2-(Trifluoromethyl)benzenethiol;2-Trifluoromethyl thiophenol; |
Article Data | 4 |
2-(Trifluoromethyl)thiophenol Chemical Properties
Molecular Structure of Benzenethiol,2-(trifluoromethyl)- (CAS NO.13333-97-6):
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Empirical Formula: C7H5F3S
Molecular Weight: 178.1748
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 25.3 Å2
Index of Refraction: 1.493
Molar Refractivity: 39.4 cm3
Molar Volume: 135.5 cm3
Surface Tension: 28.4 dyne/cm
Density: 1.314 g/cm3
Flash Point: 64 °C
Enthalpy of Vaporization: 39.67 kJ/mol
Boiling Point: 177.4 °C at 760 mmHg
Vapour Pressure: 1.4 mmHg at 25°C
Sensitive: Stench
BRN: 2441965
SMILES: FC(F)(F)c1ccccc1S
InChI: InChI=1/C7H5F3S/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4,11H
Product Categories: Aromatic Phenols; Phenol&Thiophenol&Mercaptan; Organic Building Blocks; Sulfur Compounds; Thiols/Mercaptans
2-(Trifluoromethyl)thiophenol Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: 3334
WGK Germany: 3
Hazard Note: Irritant/Stench
HazardClass: Irritant/Stench
2-(Trifluoromethyl)thiophenol Specification
Benzenethiol,2-(trifluoromethyl)- , with CAS number of 13333-97-6, can be called 2-(Trifluoromethyl)benzenethiol ; 2-(Trifluoromethyl)thiophenol 97% ; 2-Mercaptobenzotrifluoride .
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