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

Name
5-Chloro-1-phenyl-1H-pyrazole-4-carbonitrile
EINECS
CAS No. 1050619-81-2
Article Data2
CAS DataBase
Density 1.288
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-chloro-1-phenyl-1H-pyrazole-4-carbonitrile
PSA 41.61000
LogP 2.39738

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

Product Name

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

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

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