2,3-DINITROANILINE

The Benzenamine,2,3-dinitro- is an organic compound with the formula C₆H₅N₃O₄. The IUPAC name of this chemical is 2,3-dinitroaniline. With the CAS registry number 602-03-9, it is also named as 2,3-Dinitrobenzenamine.

Physical properties about Benzenamine,2,3-dinitro- are: (1)ACD/LogP: 2.42; (2)ACD/LogD (pH 5.5): 2.42; (3)ACD/LogD (pH 7.4): 2.42; (4)ACD/BCF (pH 5.5): 40.79; (5)ACD/BCF (pH 7.4): 40.79; (6)ACD/KOC (pH 5.5): 494.83; (7)ACD/KOC (pH 7.4): 494.83; (8)#H bond acceptors: 7; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 94.88 Å²; (12)Index of Refraction: 1.679; (13)Molar Refractivity: 43.58 cm³; (14)Molar Volume: 115.3 cm³; (15)Polarizability: 17.27×10^-24cm³; (16)Surface Tension: 79 dyne/cm; (17)Density: 1.586 g/cm³; (18)Flash Point: 210.2 °C; (19)Enthalpy of Vaporization: 67.83 kJ/mol; (20)Boiling Point: 423.9 °C at 760 mmHg; (21)Vapour Pressure: 2.16E-07 mmHg at 25°C.

Preparation of Benzenamine,2,3-dinitro-: this chemical can be prepared by N-(3-nitro-phenyl)-acetamide. This reaction will need reagent conc. sulfuric acid. The reaction time is 3 hours at ambient temperature. The yield is about 32%.

Uses of Benzenamine,2,3-dinitro-: it can be used to produce 1-chloro-2,3-dinitro-benzene at temperature of 60 °C. It will need reagent nitrosylfuric acid with reaction time of 10 min. The yield is about 60%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1c(cccc1N)[N+]([O-])=O
(2)InChI: InChI=1/C6H5N3O4/c7-4-2-1-3-5(8(10)11)6(4)9(12)13/h1-3H,7H2
(3)InChIKey: CGNBQYFXGQHUQP-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H5N3O4/c7-4-2-1-3-5(8(10)11)6(4)9(12)13/h1-3H,7H2
(5)Std. InChIKey: CGNBQYFXGQHUQP-UHFFFAOYSA-N