1H-Pyrazole-3,5-diamine,4-(2-phenyldiazenyl)- supplier

Name
3,5-Diamino-4-phenylazopyrazole
EINECS
CAS No. 3656-02-8
Article Data8
CAS DataBase
Density 1.522 g/cm³
Solubility
Melting Point
Formula C₉H₁₀N₆
Boiling Point 535.039 °C at 760 mmHg
Molecular Weight 202.219
Flash Point 277.382 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,5-Diamino-4-phenylazopyrazole;4-[(E)-Phenyldiazenyl]-1H-pyrazole-3,5-diamine;4-Phenylazo-1H-pyrazole-3,5-diamine;Pyrazole-3,5-diamine, 4-phenylazo-;
PSA 105.44000
LogP 3.15190

1H-Pyrazole-3,5-diamine,4-(2-phenyldiazenyl)- Specification

The 1H-Pyrazole-3,5-diamine,4-(2-phenyldiazenyl)-, with the CAS registry number 3656-02-8, is also known as 3,5-Diamino-4-phenylazopyrazole. This chemical's molecular formula is C₉H₁₀N₆ and molecular weight is 202.22. What's more, its systematic name is 4-[(E)-phenyldiazenyl]-1H-pyrazole-3,5-diamine.

Physical properties of 1H-Pyrazole-3,5-diamine,4-(2-phenyldiazenyl)- are: (1)ACD/LogP: -0.31; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9; (8)ACD/KOC (pH 7.4): 9; (9)#H bond acceptors: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 105.44 Å²; (13)Index of Refraction: 1.765; (14)Molar Refractivity: 54.968 cm³; (15)Molar Volume: 132.878 cm³; (16)Polarizability: 21.791×10^-24cm³; (17)Surface Tension: 70.926 dyne/cm; (18)Density: 1.522 g/cm³; (19)Flash Point: 277.382 °C; (20)Enthalpy of Vaporization: 81.14 kJ/mol; (21)Boiling Point: 535.039 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc2nnc(N)c2/N=N/c1ccccc1
(2)Std. InChI: InChI=1S/C9H10N6/c10-8-7(9(11)15-14-8)13-12-6-4-2-1-3-5-6/h1-5H,(H5,10,11,14,15)/b13-12+
(3)Std. InChIKey: BLXRKDXUWQFGAW-OUKQBFOZSA-N

Product Name

3,5-Diamino-4-phenylazopyrazole

1H-Pyrazole-3,5-diamine,4-(2-phenyldiazenyl)- Specification

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