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5848-05-5

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Basic Information
CAS No.: 5848-05-5
Name: 4-(4-FLUOROPHENYL)-1H-PYRAZOL-5-AMINE
Article Data: 3
Molecular Structure:
Molecular Structure of 5848-05-5 (4-(4-FLUOROPHENYL)-1H-PYRAZOL-5-AMINE)
Formula: C9H8FN3
Molecular Weight: 177.181
Synonyms: 1H-Pyrazol-5-amine, 4-(4-fluorophenyl)-;4-(4-Fluorophenyl)-1H-pyrazol-3-ylamine;4-(4-Fluoro-phenyl)-2H-pyrazo;
Density: 1.334 g/cm3
Melting Point: 174 °C
Boiling Point: 388.8 °C at 760 mmHg
Flash Point: 189 °C
Hazard Symbols: IrritantXi,HarmfulXn
Risk Codes: 22-36
Safety: 26
PSA: 54.70000
LogP: 2.37920
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Specification

The 1H-Pyrazol-3-amine,4-(4-fluorophenyl)-, with the CAS registry number 5848-05-5, is also known as 1H-Pyrazol-5-amine, 4-(4-fluorophenyl)-. This chemical's molecular formula is C9H8FN3 and molecular weight is 177.18. What's more, its systematic name is 4-(4-fluorophenyl)-1H-pyrazol-5-amine.

Physical properties of 1H-Pyrazol-3-amine,4-(4-fluorophenyl)- are: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.58; (5)ACD/BCF (pH 5.5): 9.12; (6)ACD/BCF (pH 7.4): 9.41; (7)ACD/KOC (pH 5.5): 167.77; (8)ACD/KOC (pH 7.4): 173.18; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.06 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 47.59 cm3; (15)Molar Volume: 132.7 cm3; (16)Polarizability: 18.86×10-24cm3; (17)Surface Tension: 58.6 dyne/cm; (18)Density: 1.334 g/cm3; (19)Flash Point: 189 °C; (20)Enthalpy of Vaporization: 63.81 kJ/mol; (21)Boiling Point: 388.8 °C at 760 mmHg; (22)Vapour Pressure: 2.98E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It may also cause damage to health. This product is harmful if swallowed. What's more, it is irritating to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc2ccc(c1cnnc1N)cc2
(2)Std. InChI: InChI=1S/C9H8FN3/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13)
(3)Std. InChIKey: SIXWIUJQBBANGK-UHFFFAOYSA-N