4-AMINO-3,5-DINITROBENZAMIDE

The Benzamide,4-amino-3,5-dinitro-, with the CAS registry number 54321-79-8, is also known as NSC155951. It belongs to the product category of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. Its EINECS registry number is 259-092-8. This chemical's molecular formula is C₇H₆N₄O₅ and molecular weight is 226.15. Its IUPAC name is called 4-amino-3,5-dinitrobenzamide.

Physical properties of Benzamide,4-amino-3,5-dinitro-: (1)ACD/LogP: 2.22; (2)ACD/LogD (pH 5.5): 2.22; (3)ACD/LogD (pH 7.4): 2.22; (4)ACD/BCF (pH 5.5): 28.86; (5)ACD/BCF (pH 7.4): 28.86; (6)ACD/KOC (pH 5.5): 386.32; (7)ACD/KOC (pH 7.4): 386.32; (8)#H bond acceptors: 9; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.711; (12)Molar Refractivity: 52.51 cm³; (13)Molar Volume: 134 cm³; (14)Surface Tension: 94.8 dyne/cm; (15)Density: 1.686 g/cm³; (16)Flash Point: 167.1 °C; (17)Enthalpy of Vaporization: 59.76 kJ/mol; (18)Boiling Point: 352.7 °C at 760 mmHg; (19)Vapour Pressure: 3.76E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])C(=O)N
(2)InChI: InChI=1S/C7H6N4O5/c8-6-4(10(13)14)1-3(7(9)12)2-5(6)11(15)16/h1-2H,8H2,(H2,9,12)
(3)InChIKey: BNVZFENSTYWDDB-UHFFFAOYSA-N