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705-24-8

Basic Information
CAS No.: 705-24-8
Name: 4,6-DICHLORO-2-TRIFLUOROMETHYLPYRIMIDINE, 95+%
Article Data: 5
Molecular Structure:
Molecular Structure of 705-24-8 (4,6-DICHLORO-2-TRIFLUOROMETHYLPYRIMIDINE, 95+%)
Formula: C5HCl2F3N2
Molecular Weight: 216.978
Synonyms: 4,6-Dichloro-2-(trifluoromethyl)pyrimidine;
Density: 1.627 g/cm3
Boiling Point: 157 °C at 760 mmHg
Flash Point: 48.8 °C
Hazard Symbols: C
Risk Codes: 34
Safety: 26-36/37/39-45
PSA: 25.78000
LogP: 2.80220
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Specification

This chemical is called Pyrimidine, 4,6-dichloro-2-(trifluoromethyl)-, and its systematic name is 4,6-Dichloro-2-trifluoromethylpyrimidine. With the molecular formula of C5HCl2F3N2, its molecular weight is 216.98. The CAS registry number of this chemical is 705-24-8.

Other characteristics of the Pyrimidine, 4,6-dichloro-2-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 1.92; (5)ACD/BCF (pH 5.5): 16.83; (6)ACD/BCF (pH 7.4): 16.83; (7)ACD/KOC (pH 5.5): 262.55; (8)ACD/KOC (pH 7.4): 262.55; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 37.2 cm3; (15)Molar Volume: 133.2 cm3; (16)Polarizability: 14.74×10-24cm3; (17)Surface Tension: 35.1 dyne/cm; (18)Density: 1.627 g/cm3; (19)Flash Point: 48.8 °C; (20)Enthalpy of Vaporization: 37.75 kJ/mol; (21)Boiling Point: 157 °C at 760 mmHg; (22)Vapour Pressure: 3.63 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Clc1cc(Cl)nc(n1)C(F)(F)F
2.InChI: InChI=1/C5HCl2F3N2/c6-2-1-3(7)12-4(11-2)5(8,9)10/h1H
3.InChIKey: QFWVAJQVYBRTCL-UHFFFAOYAL