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Name |
1H-Pyrazole,1-methyl-3,5-dinitro- |
EINECS | N/A |
CAS No. | 32683-48-0 | Density | 1.83 g/cm3 |
PSA | 109.46000 | LogP | 1.28290 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H4N4O4 | Boiling Point | 327.3 °C at 760 mmHg |
Molecular Weight | 172.1 | Flash Point | 151.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Pyrazole,1-methyl-3,5-dinitro- (8CI);1-Methyl-3,5-dinitropyrazole; |
Article Data | 4 |
The 1H-Pyrazole,1-methyl-3,5-dinitro- has CAS registry number 32683-48-0. This chemical's molecular formula is C4H4N4O4 and molecular weight is 172.10. What's more, its IUPAC name is 1-methyl-3,5-dinitropyrazole.
Physical properties of 1H-Pyrazole,1-methyl-3,5-dinitro- are: (1)ACD/LogP: -0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.43; (4)ACD/LogD (pH 7.4): -0.43; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.82; (8)ACD/KOC (pH 7.4): 13.82; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 109.46 Å2; (13)Index of Refraction: 1.708; (14)Molar Refractivity: 36.57 cm3; (15)Molar Volume: 93.7 cm3; (16)Polarizability: 14.49×10-24cm3; (17)Surface Tension: 93.1 dyne/cm; (18)Density: 1.83 g/cm3; (19)Flash Point: 151.7 °C; (20)Enthalpy of Vaporization: 54.69 kJ/mol; (21)Boiling Point: 327.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000389 mmHg at 25°C.
Preparation: this chemical can be prepared by diazomethane and 3,5-dinitro-1H-pyrazole at the ambient temperature. This reaction will need solvents acetonitrile; diethyl ether with the reaction time of 3 hours. The yield is about 55%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(nn1C)[N+]([O-])=O
(2)Std. InChI: InChI=1S/C4H4N4O4/c1-6-4(8(11)12)2-3(5-6)7(9)10/h2H,1H3
(3)Std. InChIKey: UWSPNIADTGDCIW-UHFFFAOYSA-N