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7154-34-9

Basic Information
CAS No.: 7154-34-9
Name: 2,4-DIAMINO-6-NITROQUINAZOLINE
Article Data: 13
Molecular Structure:
Molecular Structure of 7154-34-9 (2,4-DIAMINO-6-NITROQUINAZOLINE)
Formula: C8H7N5O2
Molecular Weight: 205.17
Synonyms: Quinazoline,2,4-diamino-6-nitro- (8CI);NSC 73515;6-Nitroquinazoline-2,4-diamine;2,4-Diamino-6-nitroquinazoline;6-Nitro-2,4-quinazolinediamine;
Density: 1.623 g/cm3
Melting Point: >360°C
Boiling Point: 560.8 °C at 760 mmHg
Flash Point: 293 °C
Hazard Symbols: R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes: 36/37/38
Safety: 26-36
PSA: 123.64000
LogP: 2.38800
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Specification

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%.

2,4-Quinazolinediamine,6-nitro- can be used to produce quinazoline-2,4,6-triamine at the temperature of 4 °C

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