2,4-DIAMINO-6-NITROQUINAZOLINE

The 2,4-Quinazolinediamine,6-nitro-, with the CAS registry number 7154-34-9, is also known as 2,4-Diamino-6-nitroquinazoline. This chemical's molecular formula is C₈H₇N₅O₂ and molecular weight is 205.17. What's more, its IUPAC name is 6-nitroquinazoline-2,4-diamine. It should be sealed and stored in a cool and dry place.

Physical properties of 2,4-Quinazolinediamine,6-nitro- are: (1)ACD/LogP: 0.69; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1.57; (7)#H bond acceptors: 7; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 78.08 Å²; (11)Index of Refraction: 1.825; (12)Molar Refractivity: 55.29 cm³; (13)Molar Volume: 126.3 cm³; (14)Polarizability: 21.92×10^-24cm³; (15)Surface Tension: 107 dyne/cm; (16)Density: 1.623 g/cm³; (17)Flash Point: 293 °C; (18)Enthalpy of Vaporization: 84.35 kJ/mol; (19)Boiling Point: 560.8 °C at 760 mmHg; (20)Vapour Pressure: 1.32E-12 mmHg at 25°C.

Uses of 2,4-Quinazolinediamine,6-nitro-: it can be used to produce quinazoline-2,4,6-triamine at the temperature of 4 °C. It will need reagent SnCl₂·2H₂O/10M HCl with the reaction time of 24 hours. The yield is about 92%.

When you are using this chemical, please be cautious about it as the following:
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. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=NC(=N2)N)N
(2)InChI: InChI=1S/C8H7N5O2/c9-7-5-3-4(13(14)15)1-2-6(5)11-8(10)12-7/h1-3H,(H4,9,10,11,12)
(3)InChIKey: YZMJNZRTRWPJFY-UHFFFAOYSA-N