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

Name
5-(4-FLUOROPHENYL)-2H-PYRAZOL-3-YLAMINE
EINECS
CAS No. 72411-52-0
Article Data7
CAS DataBase
Density 1.334 g/cm³
Solubility
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
Appearance
Safety 26-36/37/39
Risk Codes 22-37/38-41
Molecular Structure
Hazard Symbols Xn,Xi
Synonyms 3-Amino-5-(4-fluorophenyl)-1H-pyrazole;5-(4-Fluorophenyl)-1H-pyrazol-3-ylamine;
PSA 54.70000
LogP 2.37920

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

Product Name

5-(4-FLUOROPHENYL)-2H-PYRAZOL-3-YLAMINE

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

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