1H-Pyrazol-5-amine,3-methyl-1-(4-nitrophenyl)- supplier

Name
5-METHYL-2-(4-NITROPHENYL)-2H-PYRAZOL-3-YLAMINE
EINECS
CAS No. 16459-47-5
Article Data3
CAS DataBase
Density 1.42 g/cm³
Solubility
Melting Point 159 °C
Formula C₁₀H₁₀N₄O₂
Boiling Point 421.6 °C at 760 mmHg
Molecular Weight 218.215
Flash Point 208.8 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 3-Methyl-1-(4-nitrophenyl)-1h-pyrazol-5-amine;5-Methyl-2-(4-nitrophenyl)-2H-pyrazol-3-ylamine;3-Methyl-1-(4-nitrophenyl)pyrazole-5-ylamine;
PSA 89.66000
LogP 2.77550

1H-Pyrazol-5-amine,3-methyl-1-(4-nitrophenyl)- Specification

The 1H-Pyrazol-5-amine,3-methyl-1-(4-nitrophenyl)-, with the CAS registry number 16459-47-5, is also known as 3-Methyl-1-(4-nitrophenyl)-1h-pyrazol-5-amine. This chemical's molecular formula is C₁₀H₁₀N₄O₂ and molecular weight is 218.21. What's more, its IUPAC name is 5-methyl-2-(4-nitrophenyl)pyrazol-3-amine.

Physical properties of 1H-Pyrazol-5-amine,3-methyl-1-(4-nitrophenyl)- are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 66.88 Å²; (7)Index of Refraction: 1.679; (8)Molar Refractivity: 57.93 cm³; (9)Molar Volume: 153.3 cm³; (10)Polarizability: 22.96×10^-24cm³; (11)Surface Tension: 61.7 dyne/cm; (12)Density: 1.42 g/cm³; (13)Flash Point: 208.8 °C; (14)Enthalpy of Vaporization: 67.57 kJ/mol; (15)Boiling Point: 421.6 °C at 760 mmHg; (16)Vapour Pressure: 2.57E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc(n1nc(cc1N)C)cc2
(2)Std. InChI: InChI=1S/C10H10N4O2/c1-7-6-10(11)13(12-7)8-2-4-9(5-3-8)14(15)16/h2-6H,11H2,1H3
(3)Std. InChIKey: TVXCGEBTCKIPNH-UHFFFAOYSA-N

Product Name

5-METHYL-2-(4-NITROPHENYL)-2H-PYRAZOL-3-YLAMINE

1H-Pyrazol-5-amine,3-methyl-1-(4-nitrophenyl)- Specification

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