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5394-41-2

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Basic Information
CAS No.: 5394-41-2
Name: 5-AMINO-1-(4-NITROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
Article Data: 7
Cas Database
Molecular Structure:
Molecular Structure of 5394-41-2 (5-AMINO-1-(4-NITROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE)
Formula: C10H7N5O2
Molecular Weight: 229.198
Synonyms: 5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile;
Density: 1.51 g/cm3
Melting Point: 191-193 °C
Boiling Point: 492.3 °C at 760 mmHg
Flash Point: 251.5 °C
Hazard Symbols: IrritantXi
PSA: 113.45000
LogP: 2.33878
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Specification

The 5-Amino-1-(4-nitrophenyl)pyrazole-4-carbonitrile, with the CAS registry number 5394-41-2, is also known as 1H-Pyrazole-4-carbonitrile, 5-amino-1-(4-nitrophenyl)-. This chemical's molecular formula is C10H7N5O2 and molecular weight is 229.059974. Its IUPAC name is called 5-amino-1-(4-nitrophenyl)pyrazole-4-carbonitrile. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes. 

Physical properties of 5-Amino-1-(4-nitrophenyl)pyrazole-4-carbonitrile: (1)ACD/LogP: 1.44; (2)#H bond acceptors: 7; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 3; (5)Index of Refraction: 1.725; (6)Molar Refractivity: 60.03 cm3; (7)Molar Volume: 151 cm3; (8)Surface Tension: 75 dyne/cm; (9)Density: 1.51 g/cm3; (10)Flash Point: 251.5 °C; (11)Enthalpy of Vaporization: 75.92 kJ/mol; (12)Boiling Point: 492.3 °C at 760 mmHg; (13)Vapour Pressure: 7.8E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1N2C(=C(C=N2)C#N)N)[N+](=O)[O-]
(2)InChI: InChI=1S/C10H7N5O2/c11-5-7-6-13-14(10(7)12)8-1-3-9(4-2-8)15(16)17/h1-4,6H,12H2
(3)InChIKey: OAPYCPXMCXWPHI-UHFFFAOYSA-N