1H-Imidazole-4,5-dicarbonitrile,2-phenyl- supplier

Name
2-PHENYL-1H-IMIDAZOLE-4,5-DICARBONITRILE
EINECS
CAS No. 50847-06-8
Article Data4
CAS DataBase
Density 1.36 g/cm³
Solubility
Melting Point 192-196 °C
Formula C₁₁H₆N₄
Boiling Point 540.7 °C at 760 mmHg
Molecular Weight 194.195
Flash Point 164.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,5-Dicyano-2-phenylimidazole;
PSA 76.26000
LogP 1.82006

1H-Imidazole-4,5-dicarbonitrile,2-phenyl- Specification

The 1H-Imidazole-4,5-dicarbonitrile,2-phenyl-, with the CAS registry number 50847-06-8, is also known as 4,5-Dicyano-2-phenylimidazole. This chemical's molecular formula is C₁₁H₆N₄ and molecular weight is 194.19. What's more, its systematic name is 2-Phenyl-1H-imidazole-4,5-dicarbonitrile.

Physical properties about 1H-Imidazole-4,5-dicarbonitrile,2-phenyl-: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.38; (4)ACD/LogD (pH 7.4): 0.23; (5)ACD/BCF (pH 5.5): 4.32; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 60.45; (8)ACD/KOC (pH 7.4): 4.31; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 65.4 Å²; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 52.31 cm³; (15)Molar Volume: 142.5 cm³; (16)Surface Tension: 82.4 dyne/cm; (17)Density: 1.36 g/cm³; (18)Flash Point: 164.2 °C; (19)Enthalpy of Vaporization: 81.84 kJ/mol; (20)Boiling Point: 540.7 °C at 760 mmHg; (21)Vapour Pressure: 9.36E-12 mmHg at 25 °C; (22)Melting point: 192-196 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc2nc(c1ccccc1)nc2C#N
(2) InChI: InChI=1/C11H6N4/c12-6-9-10(7-13)15-11(14-9)8-4-2-1-3-5-8/h1-5H,(H,14,15)
(3) InChIKey: PGSHQANDAMACEF-UHFFFAOYAO

Product Name

2-PHENYL-1H-IMIDAZOLE-4,5-DICARBONITRILE

1H-Imidazole-4,5-dicarbonitrile,2-phenyl- Specification

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