1H-Pyrazole,1-methyl-3,5-dinitro- supplier

Name
1-Methyl-3,5-dinitropyrazole
EINECS
CAS No. 32683-48-0
Article Data4
CAS DataBase
Density 1.83 g/cm³
Solubility
Melting Point
Formula C₄H₄N₄O₄
Boiling Point 327.3 °C at 760 mmHg
Molecular Weight 172.1
Flash Point 151.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrazole,1-methyl-3,5-dinitro- (8CI);1-Methyl-3,5-dinitropyrazole;
PSA 109.46000
LogP 1.28290

1H-Pyrazole,1-methyl-3,5-dinitro- Specification

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%.

1H-Pyrazole,1-methyl-3,5-dinitro- can be prepared by diazomethane and 3,5-dinitro-1H-pyrazole at the ambient temperature

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

Product Name

1-Methyl-3,5-dinitropyrazole

1H-Pyrazole,1-methyl-3,5-dinitro- Specification

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