Product Name

  • Name

    2-(TRIFLUOROMETHYL)THIOPHENOL

  • EINECS -0
  • CAS No. 13333-97-6
  • Article Data4
  • CAS DataBase
  • Density 1.314 g/cm3
  • Solubility
  • Melting Point
  • Formula C7H5F3S
  • Boiling Point 177.424 °C at 760 mmHg
  • Molecular Weight 178.178
  • Flash Point 64.024 °C
  • Transport Information
  • Appearance light yellow liquid
  • Safety 26
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 13333-97-6 (2-(TRIFLUOROMETHYL)THIOPHENOL)
  • Hazard Symbols IrritantXi
  • Synonyms 2-(Trifluoromethyl)benzenethiol;2-Trifluoromethyl thiophenol;
  • PSA 38.80000
  • LogP 2.99410

2-(Trifluoromethyl)thiophenol Chemical Properties

Molecular Structure of Benzenethiol,2-(trifluoromethyl)- (CAS NO.13333-97-6):

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: IrritantXi
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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