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Basic Information
CAS No.: 130783-02-7
Name: 3,5-Bis(trifluoromethyl)benzenethiol
Article Data: 2
Molecular Structure:
Molecular Structure of 130783-02-7 (3,5-Bis(trifluoromethyl)benzenethiol)
Formula: C8H4F6S
Molecular Weight: 246.176
Synonyms: 3,5-Bis(trifluoromethyl)thiophenol;
Density: 1.456 g/cm3
Melting Point: 71 °C
Boiling Point: 166.887 °C at 760 mmHg
Flash Point: 58.669 °C
Solubility: Insoluble in water but soluble in alcohol and ether.
Appearance: clear colorless to slightly yellow liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 38.80000
LogP: 4.01290
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Chemistry

Molecular Structure of 3,5-Bis(trifluoromethyl)benzenethiol (CAS NO.130783-02-7):

IUPAC Name: 3,5-bis(trifluoromethyl)benzenethiolate 
Empirical Formula: C8H4F6S
Molecular Weight: 246.1728
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 25.3Å2
Index of Refraction: 1.438
Molar Refractivity: 44.38 cm3
Molar Volume: 169 cm3
Surface Tension: 22.9 dyne/cm
Density: 1.456 g/cm3
Flash Point: 58.7 °C
Enthalpy of Vaporization: 38.68 kJ/mol
Boiling Point: 166.9 °C at 760 mmHg
Vapour Pressure: 2.3 mmHg at 25°C
Sensitive Air Sensitive
Product Categories: Fluorides; Aromatic Phenols

Safety Profile

Hazard Codes: IrritantXi
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
HazardClass: Irritant, Air sensitive, Stench

Specification

  3,5-Bis(trifluoromethyl)benzenethiol , with CAS number of 130783-02-7, can be called benzenethiol, 3,5-bis(trifluoromethyl)- ; 3,5-Bis(trifluoromethyl)thiophenol 95% . It is a clear colorless to slightly yellow liquid.