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Name |
1,4-Dinitro-1H-imidazole |
EINECS | N/A |
CAS No. | 19182-81-1 | Density | 2.01 g/cm3 |
PSA | 109.46000 | LogP | 0.87750 |
Solubility | N/A | Melting Point |
92-94 °C |
Formula | C3H2N4O4 | Boiling Point | 433.7 °C at 760 mmHg |
Molecular Weight | 158.073 | Flash Point | 216.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Imidazole,1,4-dinitro- (8CI);1,4-Dinitroimidazole; |
Article Data | 28 |
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