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| CAS No.: | 19182-81-1 |
|---|---|
| Name: | 1,4-DINITROIMIDAZOLE |
| Molecular Structure: | |
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| Formula: | C3H2N4O4 |
| Molecular Weight: | 158.073 |
| Synonyms: | Imidazole,1,4-dinitro- (8CI);1,4-Dinitroimidazole; |
| Density: | 2.01 g/cm3 |
| Melting Point: | 92-94 °C |
| Boiling Point: | 433.7 °C at 760 mmHg |
| Flash Point: | 216.1 °C |
| PSA: | 109.46000 |
| LogP: | 0.87750 |
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Specification
The 1H-Imidazole,1,4-dinitro-, with the CAS registry number 19182-81-1, is also known as 1,4-Dinitroimidazole. This chemical's molecular formula is C3H2N4O4 and molecular weight is 158.07. Its systematic name is called 1,4-dinitro-1H-imidazole.
Physical properties of 1H-Imidazole,1,4-dinitro-: (1)ACD/LogP: -0.31; (2)ACD/LogD (pH 5.5): -0.31; (3)ACD/LogD (pH 7.4): -0.31; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 16.1; (7)ACD/KOC (pH 7.4): 16.1; (8)#H bond acceptors: 8; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.755; (11)Molar Refractivity: 32.14 cm3; (12)Molar Volume: 78.4 cm3; (13)Surface Tension: 120.7 dyne/cm; (14)Density: 2.01 g/cm3; (15)Flash Point: 216.1 °C; (16)Enthalpy of Vaporization: 68.97 kJ/mol; (17)Boiling Point: 433.7 °C at 760 mmHg; (18)Vapour Pressure: 1E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ncn([N+](=O)[O-])c1
(2)InChI: InChI=1/C3H2N4O4/c8-6(9)3-1-5(2-4-3)7(10)11/h1-2H
(3)InChIKey: HZPSREFSUPXCMN-UHFFFAOYAR