4-Trifluoromethyldiphenyl sulfide supplier

Name
4-TRIFLUOROMETHYL DIPHENYL SULFIDE
EINECS
CAS No. 53451-90-4
Article Data52
CAS DataBase
Density 1.29g/cm³
Solubility
Melting Point 36 °C
Formula C₁₃H₉F₃S
Boiling Point 314.8 °C at 760 mmHg
Molecular Weight 254.276
Flash Point 144.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phenyl4-trifluoromethylphenyl sulfide;
PSA 25.30000
LogP 4.85660

4-Trifluoromethyldiphenyl sulfide Specification

The Benzene,1-(phenylthio)-4-(trifluoromethyl)-, with CAS registry number 53451-90-4, has the systematic name of 1-phenylsulfanyl-4-(trifluoromethyl)benzene. Besides this, it is also called Phenyl 4-(trifluoromethyl)phenyl sulfide. And the chemical formula of this chemical is C₁₃H₉F₃S.

Physical properties of Benzene,1-(phenylthio)-4-(trifluoromethyl)-: (1)ACD/LogP: 5.12; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.12; (4)ACD/LogD (pH 7.4): 5.12; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 25.3 Å²; (9)Index of Refraction: 1.57; (10)Molar Refractivity: 64.46 cm³; (11)Molar Volume: 196.3 cm³; (12)Polarizability: 25.55×10^-24cm³; (13)Surface Tension: 39.3 dyne/cm; (14)Enthalpy of Vaporization: 53.39 kJ/mol; (15)Vapour Pressure: 0.000841 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)Sc2ccc(cc2)C(F)(F)F
(2)InChI: InChI=1/C13H9F3S/c14-13(15,16)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h1-9H
(3)InChIKey: VBQZDUABIJNHRP-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C13H9F3S/c14-13(15,16)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h1-9H
(5)Std. InChIKey: VBQZDUABIJNHRP-UHFFFAOYSA-N

Product Name

4-TRIFLUOROMETHYL DIPHENYL SULFIDE

4-Trifluoromethyldiphenyl sulfide Specification

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