5-Amino-1-(2-nitrophenyl)-1H-pyrazole-4-carbonitrile supplier

Name
5-Amino-1-(2-nitrophenyl)-1H-pyrazole-4-carbonitrile
EINECS
CAS No. 65973-69-5
Article Data5
CAS DataBase
Density 1.517 g/cm³
Solubility
Melting Point 178℃
Formula C₁₀H₇N₅O₂
Boiling Point 493.217 °C at 760 mmHg
Molecular Weight 229.198
Flash Point 252.089 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile;
PSA 113.45000
LogP 2.33878

5-Amino-1-(2-nitrophenyl)-1H-pyrazole-4-carbonitrile Specification

The 5-Amino-1-(2-nitrophenyl)-1H-pyrazole-4-carbonitrile, with the CAS registry number 65973-69-5, is also known as 5-Amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile. This chemical's molecular formula is C₁₀H₇N₅O₂ and molecular weight is 229.19488. What's more, its systematic name is 5-Amino-1-(2-nitrophenyl)-1H-pyrazole-4-carbonitrile.

Physical properties about 5-Amino-1-(2-nitrophenyl)-1H-pyrazole-4-carbonitrile are: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 87; (8)ACD/KOC (pH 7.4): 87; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 113.45 Å²; (13)Index of Refraction: 1.726; (14)Molar Refractivity: 60.03 cm³; (15)Molar Volume: 151.039 cm³; (16)Polarizability: 23.798×10^-24 cm³; (17)Surface Tension: 75.025 dyne/cm; (18)Density: 1.517 g/cm³; (19)Flash Point: 252.089 °C; (20)Enthalpy of Vaporization: 76.031 kJ/mol; (21)Boiling Point: 493.217 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccccc1n2ncc(C#N)c2N
(2) InChI: InChI=1/C10H7N5O2/c11-5-7-6-13-14(10(7)12)8-3-1-2-4-9(8)15(16)17/h1-4,6H,12H2
(3) InChIKey: FRKWUGANTHEAHA-UHFFFAOYAX

Product Name

5-Amino-1-(2-nitrophenyl)-1H-pyrazole-4-carbonitrile

5-Amino-1-(2-nitrophenyl)-1H-pyrazole-4-carbonitrile Specification

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