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Name |
1H-Pyrazol-3-amine,4-nitro- |
EINECS | N/A |
CAS No. | 16115-82-5 | Density | 1.705 g/cm3 |
PSA | 100.52000 | LogP | 1.00450 |
Solubility | N/A | Melting Point |
242 °C |
Formula | C3H4N4O2 | Boiling Point | 455.5 °C at 760 mmHg |
Molecular Weight | 128.09 | Flash Point | 229.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Amino-4-nitropyrazole;4-Nitro-1H-pyrazol-3-ylamine;4-Nitro-1H-pyrazol-5-amine; |
The 1H-Pyrazol-3-amine,4-nitro-, with the CAS registry number 16115-82-5, is also known as 3-Amino-4-nitropyrazole. It belongs to the product category of Nitro. This chemical's molecular formula is C3H4N4O2 and molecular weight is 128.09. What's more, its systematic name is 4-nitro-1H-pyrazol-5-amine.
Physical properties of 1H-Pyrazol-3-amine,4-nitro- are: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.14; (4)ACD/LogD (pH 7.4): 1.14; (5)ACD/BCF (pH 5.5): 4.34; (6)ACD/BCF (pH 7.4): 4.34; (7)ACD/KOC (pH 5.5): 99.56; (8)ACD/KOC (pH 7.4): 99.53; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.88 Å2; (13)Index of Refraction: 1.716; (14)Molar Refractivity: 29.55 cm3; (15)Molar Volume: 75.1 cm3; (16)Polarizability: 11.71×10-24cm3; (17)Surface Tension: 108.4 dyne/cm; (18)Density: 1.705 g/cm3; (19)Flash Point: 229.3 °C; (20)Enthalpy of Vaporization: 71.52 kJ/mol; (21)Boiling Point: 455.5 °C at 760 mmHg; (22)Vapour Pressure: 1.75E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cnnc1N
(2)Std. InChI: InChI=1S/C3H4N4O2/c4-3-2(7(8)9)1-5-6-3/h1H,(H3,4,5,6)
(3)Std. InChIKey: JWGYPTNGYXOXPV-UHFFFAOYSA-N