3,4-Pyridinediamine, 5-nitro-

The CAS register number of 5-Nitropyridine-3,4-diamine is 4318-68-7. It also can be called as 3,4-Diamino-5-nitropyridine and the systematic name about this chemical is 5-nitropyridine-3,4-diamine. The molecular formula about this chemical is C₅H₆N₄O₂ and the molecular weight is 154.13.

Physical properties about 5-Nitropyridine-3,4-diamine are: (1)ACD/LogP: 1.62; (2)ACD/LogD (pH 5.5): 1.52; (3)ACD/LogD (pH 7.4): 1.62; (4)ACD/BCF (pH 5.5): 7.91; (5)ACD/BCF (pH 7.4): 9.99; (6)ACD/KOC (pH 5.5): 142.94; (7)ACD/KOC (pH 7.4): 180.59; (8)#H bond acceptors: 6; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 65.19 Å²; (12)Index of Refraction: 1.725; (13)Molar Refractivity: 39.36 cm³; (14)Molar Volume: 99 cm³; (15)Polarizability: 15.6x10^-24cm³; (16)Surface Tension: 94.1 dyne/cm; (17)Density: 1.555 g/cm³; (18)Flash Point: 241.2 °C; (19)Enthalpy of Vaporization: 73.86 kJ/mol; (20)Boiling Point: 475.1 °C at 760 mmHg; (21)Vapour Pressure: 3.41E-09 mmHg at 25 °C.

Uses of 5-Nitropyridine-3,4-diamine: it can be used to produce 7-nitro-1,3-dihydro-imidazo[4,5-c]pyridine-2-thione with carbon disulfide. This reaction will need reagent of pyridine. This reaction needs heating. The reaction time is 5.5 hours. The yield is about 99%.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cncc(N)c1N
(2)InChI: InChI=1/C5H6N4O2/c6-3-1-8-2-4(5(3)7)9(10)11/h1-2H,6H2,(H2,7,8)
(3)InChIKey:OMUADEPNIQXNRG-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C5H6N4O2/c6-3-1-8-2-4(5(3)7)9(10)11/h1-2H,6H2,(H2,7,8)
(5)Std. InChIKey: OMUADEPNIQXNRG-UHFFFAOYSA-N