1-Phenyl-1H-pyrazole-4-carbonitrile supplier

Name
1-Phenyl-1H-pyrazole-4-carbonitrile
EINECS
CAS No. 709-04-6
Article Data16
CAS DataBase
Density 1.137 g/cm³
Solubility
Melting Point 134.5℃ (water )
Formula C₁₀H₇N₃
Boiling Point 321.197 °C at 760 mmHg
Molecular Weight 169.186
Flash Point 148.055 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-PHENYL-1H-PYRAZOLE-4-CARBONITRILE;1-Phenylpyrazole-4-carbonitrile;4-Cyano-1-phenylpyrazole
PSA 41.61000
LogP 1.74398

1-Phenyl-1H-pyrazole-4-carbonitrile Specification

This chemical is called 1-Phenyl-1H-pyrazole-4-carbonitrile, and its CAS registry number is 709-04-6. With the molecular formula of C₁₀H₇N₃, its molecular weight is 169.18.

Other characteristics of the 1-Phenyl-1H-pyrazole-4-carbonitrile can be summarised as followings: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 9; (7)ACD/KOC (pH 5.5): 166; (8)ACD/KOC (pH 7.4): 166; (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: 1.623; (14)Molar Refractivity: 52.456 cm³; (15)Molar Volume: 148.766 cm³; (16)Polarizability: 20.795×10^-24cm³; (17)Surface Tension: 48.157 dyne/cm; (18)Density: 1.137 g/cm³; (19)Flash Point: 148.055 °C; (20)Enthalpy of Vaporization: 56.293 kJ/mol; (21)Boiling Point: 321.197 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: N#Cc1cn(nc1)c2ccccc2
2.InChI: InChI=1/C10H7N3/c11-6-9-7-12-13(8-9)10-4-2-1-3-5-10/h1-5,7-8H
3.InChIKey: QXUOMWCBAUSGQT-UHFFFAOYAK

Product Name

1-Phenyl-1H-pyrazole-4-carbonitrile

1-Phenyl-1H-pyrazole-4-carbonitrile Specification

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