1,3-Dichloro-4,6-dinitrobenzene

The Benzene,1,5-dichloro-2,4-dinitro-, with CAS registry number 3698-83-7, belongs to the following product categories: (1)Aromatic Hydrocarbons (substituted) & Derivatives; (2)Nitro Compounds; (3)Nitrogen Compounds; (4)Organic Building Blocks. It has the systematic name of 1,5-dichloro-2,4-dinitrobenzene. This chemical is very toxic to aquatic organisms, so avoid release to the environment. Refer to special instructions / safety data sheets. The main use of this chemical is for organic synthesis.

Physical properties of Benzene,1,5-dichloro-2,4-dinitro-: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 2.52; (5)ACD/BCF (pH 5.5): 48.03; (6)ACD/BCF (pH 7.4): 48.03; (7)ACD/KOC (pH 5.5): 556.21; (8)ACD/KOC (pH 7.4): 556.21; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 91.64 Å²; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 49.13 cm³; (15)Molar Volume: 137 cm³; (16)Polarizability: 19.47×10^-24cm³; (17)Surface Tension: 65.6 dyne/cm; (18)Enthalpy of Vaporization: 55.78 kJ/mol; (19)Vapour Pressure: 0.000203 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,3-dichloro-benzene. This reaction will need reagent fuming nitric acid.

Uses of p-Chloropropiophenone: it can be used to produce 4,6-dinitro-m-phenylenediamine. This reaction will need reagents ethylene glycol, ammonia. The reaction temperature is 140 ℃.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=[N+]([O-])c1cc(c(Cl)cc1Cl)[N+]([O-])=O
(2)InChI: InChI=1/C6H2Cl2N2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H
(3)InChIKey: ZPXDNSYFDIHPOJ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C6H2Cl2N2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H
(5)Std. InChIKey: ZPXDNSYFDIHPOJ-UHFFFAOYSA-N