75431-03-7

Basic information

• Product Name: ISOPROPYL-(1-ISOPROPYL-1H-TETRAZOL-5-YL)-AMINE
• Synonyms: ISOPROPYL-(1-ISOPROPYL-1H-TETRAZOL-5-YL)-AMINE;SALOR-INT L158070-1EA
• CAS NO: 75431-03-7
• Molecular Formula: C7H15N5
• Molecular Weight: 169.23
• Mol File: 75431-03-7.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 267.9°C at 760 mmHg
• Flash Point: 115.8°C
• Appearance: /
• Density: 1.18g/cm³
• Vapor Pressure: 0.00795mmHg at 25°C
• Refractive Index: 1.582
• CAS DataBase Reference: ISOPROPYL-(1-ISOPROPYL-1H-TETRAZOL-5-YL)-AMINE(CAS DataBase Reference)
• NIST Chemistry Reference: ISOPROPYL-(1-ISOPROPYL-1H-TETRAZOL-5-YL)-AMINE(75431-03-7)
• EPA Substance Registry System: ISOPROPYL-(1-ISOPROPYL-1H-TETRAZOL-5-YL)-AMINE(75431-03-7)

Safety Data

• Hazardous Substances Data: 75431-03-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C7H15N5/c1-5(2)8-7-9-10-11-12(7)6(3)4/h5-6H,1-4H3,(H,8,9,11)

Upstream product

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Relevant articles and documents

N-nitroso- and N-nitraminotetrazoles

N-Nitroso- (5a,c) and N-nitraminotetrazoles (6a-c) were synthesized from the corresponding aminotetrazoles (3a-c) either by the direct nitration with acetic anhydride/HNO3 or by dehydration of the corresponding nitrates (4a-c) with concentrated sulfuric acid. The conversion of the N-nitrosoaminotetrazoles (5a,c) with peroxytrifluoroacetic acid (CF 3CO3H) yielded the corresponding nitramines in high yield (6a (82%), 6c (80%)). The N-nitroso- (5a,c) and N-nitraminotetrazoles (6a-c) have been fully characterized by vibrational (IR, Raman) and multinuclear NMR spectroscopy (14N/15N, 1H, 13C), mass spectrometry, and elemental analysis. A detailed discussion of the 15N chemical shifts and 1H-15N coupling constants is given. The molecular structures in the solid state were determined by single-crystal X-ray diffraction (3a,c; 5a,c; 6a-c) and a detailed discussion of the molecular structures will be presented. Furthermore, the structure and bonding as well as N,N rotational barriers are discussed on the basis of theoretically obtained data (B3LYP/6-31G(d,p), NBO analysis). In the case of two N-nitraminotetrazoles (6a,c) the physicochemical properties (e.g., D, P, ΔfH°) were evaluated. The heat of formation was calculated to be positive for 6a and 6c (+2.8 and +85.2 kcal mol-1, respectively) and the calculated detonation velocity with 5988 (6a) and 7181 (6c) m s-1 reaches values of TNT and nitroglycerin.