Product Name

  • Name

    4-(Trifluoromethyl)thiophenol

  • EINECS -0
  • CAS No. 825-83-2
  • Article Data16
  • CAS DataBase
  • Density 1.314 g/cm3
  • 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
  • Appearance clear colorless to light yellow liquid
  • Safety 37/39-26
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 825-83-2 (4-(Trifluoromethyl)thiophenol)
  • Hazard Symbols IrritantXi
  • Synonyms p-Toluenethiol,a,a,a-trifluoro- (7CI,8CI);p-(Trifluoromethyl)benzenethiol;p-(Trifluoromethyl)thiophenol;a,a,a-Trifluoro-p-methylbenzenethiol;
  • PSA 38.80000
  • LogP 2.99410

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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