1H-Pyrazole-3-carbonitrile,4-nitro- supplier

Name
4-NITRO-1H-PYRAZOLE-3-CARBONITRILE
EINECS
CAS No. 61241-07-4
Article Data10
CAS DataBase
Density 1.63 g/cm³
Solubility
Melting Point
Formula C₄H₂N₄O₂
Boiling Point 468.3 °C at 760 mmHg
Molecular Weight 138.085
Flash Point 237 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-nitropyrazole-3-carbonitrile;4-nitro-1H-pyrazole-3-carbonitrile;
PSA 98.29000
LogP 0.71278

1H-Pyrazole-3-carbonitrile,4-nitro- Specification

The 1H-Pyrazole-3-carbonitrile,4-nitro-, with the CAS registry number 61241-07-4, is also known as 4-Nitropyrazole-3-carbonitrile. It belongs to the product category of Nitro. This chemical's molecular formula is C₄H₂N₄O₂ and molecular weight is 138.08. What's more, its IUPAC name is 4-nitro-1H-pyrazole-5-carbonitrile.

Physical properties of 1H-Pyrazole-3-carbonitrile,4-nitro- are: (1)ACD/LogP: -0.02; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 9.07; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 87.43 Å²; (11)Index of Refraction: 1.602; (12)Molar Refractivity: 29.07 cm³; (13)Molar Volume: 84.6 cm3; (14)Polarizability: 11.52×10^-24cm³; (15)Surface Tension: 98.9 dyne/cm; (16)Density: 1.63 g/cm³; (17)Flash Point: 237 °C; (18)Enthalpy of Vaporization: 73.04 kJ/mol; (19)Boiling Point: 468.3 °C at 760 mmHg; (20)Vapour Pressure: 6.08E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cnnc1C#N
(2)Std. InChI: InChI=1S/C4H2N4O2/c5-1-3-4(8(9)10)2-6-7-3/h2H,(H,6,7)
(3)Std. InChIKey: BLSWMOIYTDLKTA-UHFFFAOYSA-N

Product Name

4-NITRO-1H-PYRAZOLE-3-CARBONITRILE

1H-Pyrazole-3-carbonitrile,4-nitro- Specification

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