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5-Chloro-1-phenyl-1H-pyrazole-4-carbonitrile

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Name

5-Chloro-1-phenyl-1H-pyrazole-4-carbonitrile

EINECS N/A
CAS No. 1050619-81-2 Density 1.288
PSA 41.61000 LogP 2.39738
Solubility N/A Melting Point 79-80 °C
Formula C10H6ClN3 Boiling Point 362.848 °C at 760 mmHg
Molecular Weight 203.631 Flash Point 173.244 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1050619-81-2 (5-Chloro-1-phenyl-1H-pyrazole-4-carbonitrile) Hazard Symbols N/A
Synonyms

5-chloro-1-phenyl-1H-pyrazole-4-carbonitrile

Article Data 2

5-Chloro-1-phenyl-1H-pyrazole-4-carbonitrile Specification

This chemical is called 5-Chloro-1-phenyl-1H-pyrazole-4-carbonitrile, and its CAS registry number is 1050619-81-2. With the molecular formula of C10H6ClN3, its molecular weight is 203.62774.

Other characteristics of the 5-Chloro-1-phenyl-1H-pyrazole-4-carbonitrile can be summarised as followings: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 2.16; (5)ACD/BCF (pH 5.5): 25.789; (6)ACD/BCF (pH 7.4): 25.789; (7)ACD/KOC (pH 5.5): 356.387; (8)ACD/KOC (pH 7.4): 356.387; (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: 1.641; (14)Molar Refractivity: 57.056 cm3; (15)Molar Volume: 158.123 cm3; (16)Polarizability: 22.619×10-24cm3; (17)Surface Tension: 50.13 dyne/cm; (18)Density: 1.288 g/cm3; (19)Flash Point: 173.244 °C; (20)Enthalpy of Vaporization: 60.884 kJ/mol; (21)Boiling Point: 362.848 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: c1ccc(cc1)n2c(c(cn2)C#N)Cl
2.InChI: InChI=1/C10H6ClN3/c11-10-8(6-12)7-13-14(10)9-4-2-1-3-5-9/h1-5,7H
3.InChIKey: PUSZKFPOUNLXFN-UHFFFAOYAS

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