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Cas Database |
| Name |
4-(Trifluoromethyl)thiophenol |
EINECS | -0 |
| CAS No. | 825-83-2 | Density | 1.314 g/cm3 |
| PSA | 38.80000 | LogP | 2.99410 |
| Solubility | Insoluble in water. | Melting Point |
57-60 °C |
| Formula | C7H5F3S | Boiling Point | 179.2 °C at 760 mmHg |
| Molecular Weight | 178.178 | Flash Point | 64.9 °C |
| Transport Information | N/A | Appearance | clear colorless to light yellow liquid |
| Safety | 37/39-26 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
p-Toluenethiol,a,a,a-trifluoro- (7CI,8CI);p-(Trifluoromethyl)benzenethiol;p-(Trifluoromethyl)thiophenol;a,a,a-Trifluoro-p-methylbenzenethiol; |
Article Data | 16 |
4-(Trifluoromethyl)thiophenol Chemical Properties
Molecular Structure of 4-(Trifluoromethylthio)phenol (CAS NO.825-83-2):
IUPAC Name: 4-(Trifluoromethyl)benzene-1-thiol
Empirical Formula: C7H5F3OS
Molecular Weight: 194.1742
H bond acceptors: 1
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 34.53Å2
Index of Refraction: 1.529
Molar Refractivity: 41.28 cm3
Molar Volume: 133.8 cm3
Surface Tension: 39.2 dyne/cm
Density: 1.45 g/cm3
Flash Point: 56.9 °C
Enthalpy of Vaporization: 42.36 kJ/mol
Boiling Point: 170.4 °C at 760 mmHg
Vapour Pressure: 1.11 mmHg at 25°C
Storage temp: Refrigerator (+4°C)
Melting Point: 57-60 °C
Sensitive: Stench
BRN: 2045665
InChI
InChI=1/C7H5F3S/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H
Smiles
C(c1ccc(S)cc1)(F)(F)F
Product Categories: Aromatic Phenols; Phenol&Thiophenol&Mercaptan
4-(Trifluoromethyl)thiophenol Safety Profile
Safety information of 4-(Trifluoromethyl)benzene-1-thiol (CAS NO.825-83-2):
Hazard Codes: 
Xi
Risk Statements:
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements:
37/39: Wear suitable gloves and eye/face protection
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
Hazard Note: Irritant/Stench
4-(Trifluoromethyl)thiophenol Specification
4-(Trifluoromethylthio)phenol , with CAS number of 825-83-2, can be called 4-[(Trifluormethyl)sulfanyl]benzolol ; 4-[(Trifluoromethyl)thio]phenol ; Phenol, 4-[(trifluoromethyl)thio]- ; 4-(Trifluoromethylthio)phenol ; 4-(Trifluoromethylthio)phenol 97% . 4-(Trifluoromethyl)benzene-1-thiol (CAS NO.825-83-2) is used in organic synthesis, bio-pharmaceuticals, pharmaceutical intermediates.
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