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502132-86-7

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Basic Information
CAS No.: 502132-86-7
Name: 3-Amino-5-(2-fluorophenyl)-1H-pyrazole
Article Data: 3
Molecular Structure:
Molecular Structure of 502132-86-7 (3-Amino-5-(2-fluorophenyl)-1H-pyrazole)
Formula: C9H8FN3
Molecular Weight: 177.18
Synonyms: 3-Amino-5-(2-fluorophenyl)-1H-pyrazole;5-(2-Fluorophenyl)-1H-pyrazol-3-amine;3-(2-Fluorophenyl)pyrazole-5-ylamine;
Density: 1.334 g/cm3
Boiling Point: 427.6 °C at 760 mmHg
Flash Point: 212.4 °C
Hazard Symbols: Xn
Risk Codes: 22-37/38-41
Safety: 26-36/39
PSA: 55.43000
LogP: 1.72810
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Specification

The 1H-Pyrazol-3-amine,5-(2-fluorophenyl)-, with the CAS registry number 502132-86-7, is also known as 3-Amino-5-(2-fluorophenyl)-1H-pyrazole. This chemical's molecular formula is C9H8FN3 and molecular weight is 177.18. What's more, its systematic name is 5-(2-fluorophenyl)-1H-pyrazol-3-amine.

Physical properties of 1H-Pyrazol-3-amine,5-(2-fluorophenyl)- are: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 21.06 Å2; (7)Index of Refraction: 1.636; (8)Molar Refractivity: 47.59 cm3; (9)Molar Volume: 132.7 cm3; (10)Polarizability: 18.86×10-24cm3; (11)Surface Tension: 58.6 dyne/cm; (12)Density: 1.334 g/cm3; (13)Flash Point: 212.4 °C; (14)Enthalpy of Vaporization: 68.26 kJ/mol; (15)Boiling Point: 427.6 °C at 760 mmHg; (16)Vapour Pressure: 1.62E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccccc1c2cc(nn2)N
(2)Std. InChI: InChI=1S/C9H8FN3/c10-7-4-2-1-3-6(7)8-5-9(11)13-12-8/h1-5H,(H3,11,12,13)
(3)Std. InChIKey: HUDWZILWJQGLPY-UHFFFAOYSA-N