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2,6-Pyridinediamine,3,5-dinitro- (34981-11-8)

Identification
Name:2,6-Pyridinediamine,3,5-dinitro-
Synonyms:2,6-Diamino-3,5-dinitropyridine;3,5-Dinitro-2,6-diaminopyridine;3,5-Dinitro-2,6-pyridinediamine;3,5-dinitropyridine-2,6-diamine;
CAS:34981-11-8
Molecular Formula: C5H5 N5 O4
Molecular Weight: 199.1255
InChI: InChI=1S/C5H5N5O4/c6-4-2(9(11)12)1-3(10(13)14)5(7)8-4/h1H,(H4,6,7,8)
Molecular Structure: (C5H5N5O4) 2,6-Diamino-3,5-dinitropyridine;3,5-Dinitro-2,6-diaminopyridine;3,5-Dinitro-2,6-pyridinediamine;3,5-...
Properties
Flash Point: 272.5°C
Boiling Point: 527°Cat760mmHg
Density:1.795g/cm3
Specification:

The 2,6-Pyridinediamine,3,5-dinitro-, with the cas registry number 34981-11-8, has the systematic name of 3,5-dinitropyridine-2,6-diamine.

The physical properties of this chemical are as follows: (1)ACD/LogP: 3.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.94; (4)ACD/LogD (pH 7.4): 3.94; (5)#H bond acceptors: 9; (6)#H bond donors: 4; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 156.57; (9)Index of Refraction: 1.766; (10)Molar Refractivity: 45.9 cm3; (11)Molar Volume: 110.9 cm3; (12)Polarizability: 18.19 ×10-24 cm3; (13)Surface Tension: 116.1 dyne/cm; (14)Density: 1.795 g/cm3; (15)Flash Point: 272.5 °C; (16)Enthalpy of Vaporization: 80.15 kJ/mol; (17)Boiling Point: 527 °C at 760 mmHg; (18)Vapour Pressure: 3.4E-11 mmHg at 25°C.

When you are dealing with this chemical, you should be careful. For being a kind of irritant chemicals, it may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)SMILES:c1c(c(nc(c1[N+](=O)[O-])N)N)[N+](=O)[O-]
(2)InChI:InChI=1/C5H5N5O4/c6-4-2(9(11)12)1-3(10(13)14)5(7)8-4/h1H,(H4,6,7,8)
(3)InChIKey:ZLJZDCVHRYAHAW-UHFFFAOYAY

Flash Point: 272.5°C
Safety Data
Hazard Symbols Xi: Irritant