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3-(4-Fluorophenyl)-1H-pyrazol-5-amine

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Name

3-(4-Fluorophenyl)-1H-pyrazol-5-amine

EINECS N/A
CAS No. 72411-52-0 Density 1.334 g/cm3
PSA 54.70000 LogP 2.37920
Solubility N/A Melting Point 119-123 °C(lit.)
Formula C9H8FN3 Boiling Point 435.4 °C at 760 mmHg
Molecular Weight 177.181 Flash Point 217.1 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 22-37/38-41
Molecular Structure Molecular Structure of 72411-52-0 (5-(4-FLUOROPHENYL)-2H-PYRAZOL-3-YLAMINE) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

3-Amino-5-(4-fluorophenyl)-1H-pyrazole;5-(4-Fluorophenyl)-1H-pyrazol-3-ylamine;

Article Data 7

3-(4-Fluorophenyl)-1H-pyrazol-5-amine Specification

This chemical is called 3-(4-Fluorophenyl)-1H-pyrazol-5-amine, and it can also be named as 1H-Pyrazol-5-amine, 3-(4-fluorophenyl)-. With the molecular formula of C9H8FN3, its molecular weight is . The CAS registry number of this chemical is . Additionally, its product categories are Building Blocks; Heterocyclic Building Blocks; Pyrazoles.

Other characteristics of the 3-(4-Fluorophenyl)-1H-pyrazol-5-amine can be summarised as followings: (1)ACD/LogP: 0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.44; (4)ACD/LogD (pH 7.4): 0.45; (5)ACD/BCF (pH 5.5): 1.27; (6)ACD/BCF (pH 7.4): 1.29; (7)ACD/KOC (pH 5.5): 41.03; (8)ACD/KOC (pH 7.4): 41.76; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (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: 217.1 °C; (20)Enthalpy of Vaporization: 69.17 kJ/mol; (21)Boiling Point: 435.4 °C at 760 mmHg; (22)Vapour Pressure: 8.77E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: Fc2ccc(c1cc(nn1)N)cc2
2.InChI: InChI=1/C9H8FN3/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,(H3,11,12,13)
3.InChIKey: QYEHDCXFXONDPV-UHFFFAOYAO

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