Name: 1,4-DINITROIMIDAZOLE
SKU: 19182-81-1

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Basic Information

Molecular Structure:
CAS No.:	19182-81-1
Name:	1,4-DINITROIMIDAZOLE
Article Data:	28

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