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5-Chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile

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Name

5-Chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile

EINECS N/A
CAS No. 1050619-83-4 Density 1.37
PSA 41.61000 LogP 2.53648
Solubility N/A Melting Point 121-122 °C
Formula C10H5ClFN3 Boiling Point 356.219 °C at 760 mmHg
Molecular Weight 221.62 Flash Point 169.235 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1050619-83-4 (5-Chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile) Hazard Symbols N/A
Synonyms

5-chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile

 

5-Chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile Specification

This chemical is called 5-Chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile, and its CAS registry number is 1050619-83-4. With the molecular formula of C10H5ClFN3, its molecular weight is 221.62.

Other characteristics of the 5-Chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile can be summarised as followings: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.247; (4)ACD/LogD (pH 7.4): 2.247; (5)ACD/BCF (pH 5.5): 30.019; (6)ACD/BCF (pH 7.4): 30.019; (7)ACD/KOC (pH 5.5): 397.319; (8)ACD/KOC (pH 7.4): 397.319; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.61 Å2; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 56.927 cm3; (15)Molar Volume: 161.061 cm3; (16)Polarizability: 22.568×10-24cm3; (17)Surface Tension: 46.649 dyne/cm; (18)Density: 1.376 g/cm3; (19)Flash Point: 169.235 °C; (20)Enthalpy of Vaporization: 60.145 kJ/mol; (21)Boiling Point: 356.219 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: c1cc(ccc1n2c(c(cn2)C#N)Cl)F
2.InChI: InChI=1/C10H5ClFN3/c11-10-7(5-13)6-14-15(10)9-3-1-8(12)2-4-9/h1-4,6H
3.InChIKey: IUNUTIQMCPFGST-UHFFFAOYAU

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