1,3-DICHLORO-2,4,6-TRINITROBENZENE

The Benzene,2,4-dichloro-1,3,5-trinitro-, with CAS registry number 1630-09-7, has the systematic name of 2,4-dichloro-1,3,5-trinitrobenzene. Besides this, it is also called 1,3-Dichloro-2,4,6-trinitrobenzene. And the chemical formula of this chemical is C₆HCl₂N₃O₆.

Physical properties of Benzene,2,4-dichloro-1,3,5-trinitro-: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.71; (4)ACD/LogD (pH 7.4): 1.71; (5)#H bond acceptors: 9; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 137.46 Å²; (9)Index of Refraction: 1.671; (10)Molar Refractivity: 55.67 cm³; (11)Molar Volume: 148.8 cm³; (12)Polarizability: 22.07×10^-24cm³; (13)Surface Tension: 80.1 dyne/cm; (14)Density: 1.894 g/cm³; (15)Flash Point: 183.6 °C; (16)Enthalpy of Vaporization: 60.35 kJ/mol; (17)Boiling Point: 380 °C at 760 mmHg; (18)Vapour Pressure: 1.23E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,3-dichloro-benzene. This reaction will need reagents KNO₃, 30% oleum. The reaction time is 12 hour(s) with reaction temperature of 120 ℃. The yield is about 68%.

Uses of Benzene,2,4-dichloro-1,3,5-trinitro-: it can be used to produce 2,4,6-trinitro-m-phenylenediamine. This reaction will need reagents alcohol, ammonia.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(c(c(c(c1[N+](=O)[O-])Cl)[N+](=O)[O-])Cl)[N+](=O)[O-]
(2)InChI: InChI=1/C6HCl2N3O6/c7-4-2(9(12)13)1-3(10(14)15)5(8)6(4)11(16)17/h1H
(3)InChIKey: VNOJQYPHLMLHGQ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C6HCl2N3O6/c7-4-2(9(12)13)1-3(10(14)15)5(8)6(4)11(16)17/h1H
(5)Std. InChIKey: VNOJQYPHLMLHGQ-UHFFFAOYSA-N