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79348-71-3

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Basic Information
CAS No.: 79348-71-3
Name: 2,4,6-Trifluorotoluene
Article Data: 2
Molecular Structure:
Molecular Structure of 79348-71-3 (2,4,6-Trifluorotoluene)
Formula: C7H5F3
Molecular Weight: 146.112
Synonyms: 2,4,6-Trifluorotolueneion(1+);
Density: 1.234g/cm3
Boiling Point: 106 °C at 760 mmHg
Flash Point: 12.6 °C
PSA: 0.00000
LogP: 2.41230
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Specification

The Benzene,1,3,5-trifluoro-2-methyl-, radical ion(1+) (9CI), with CAS registry number 79348-71-3, belongs to the following product category: Halogen toluene. It has the systematic name of 1,3,5-trifluoro-2-methylbenzene. Besides this, it is also called benzene, 1,3,5-trifluoro-2-methyl-. And the chemical formula of this chemical is C7H5F3.

Physical properties of Benzene,1,3,5-trifluoro-2-methyl-, radical ion(1+) (9CI): (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.95; (4)ACD/LogD (pH 7.4): 2.95; (5)ACD/BCF (pH 5.5): 102.12; (6)ACD/BCF (pH 7.4): 102.12; (7)ACD/KOC (pH 5.5): 954.4; (8)ACD/KOC (pH 7.4): 954.4; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.437; (14)Molar Refractivity: 31.05 cm3; (15)Molar Volume: 118.3 cm3; (16)Polarizability: 12.31×10-24cm3; (17)Surface Tension: 25.6 dyne/cm; (18)Enthalpy of Vaporization: 33.07 kJ/mol; (19)Vapour Pressure: 33.5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(F)cc(F)c1C
(2)InChI: InChI=1/C7H5F3/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,1H3
(3)InChIKey: HZCVONJWZPKKBI-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C7H5F3/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,1H3
(5)Std. InChIKey: HZCVONJWZPKKBI-UHFFFAOYSA-N