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CAS No.: | 18125-24-1 |
---|---|
Name: | Benzo[f]quinoline-3-carbonitrile |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C14H8N2 |
Molecular Weight: | 204.231 |
Synonyms: | Benzo[f]quinoline-3-carbonitrile |
Density: | 1.26 g/cm3 |
Boiling Point: | 428.7 °C at 760 mmHg |
Flash Point: | 140.1 °C |
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This chemical's CAS registry number is 18125-24-1. Its molecular formula is C14H8N2 and molecular weight is 204.2267. What's more, both its IUPAC name and systematic name are the same which is also called Benzo[f]quinoline-3-carbonitrile.
Physical properties about this chemical are: (1)ACD/LogP: 2.83; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 36.68 Å2; (7)Index of Refraction: 1.728; (8)Molar Refractivity: 64.23 cm3; (9)Molar Volume: 161.1 cm3; (10)Polarizability: 25.46×10-24 cm3; (11)Surface Tension: 65.4 dyne/cm; (12)Density: 1.26 g/cm3; (13)Flash Point: 140.1 °C; (14)Enthalpy of Vaporization: 68.39 kJ/mol; (15)Boiling Point: 428.7 °C at 760 mmHg; (16)Vapour Pressure: 1.48E-07 mmHg at 25 °C.
Uses of Benzo[f]quinoline-3-carbonitrile: it is used to produce other chemicals. For example, it is used to produce 4-Oxy-benzo[f]quinoline-3-carbonitrile.
The reaction occurs with 36 % w/w Hydrogen peroxide and solvent Acetic acid. The reaction time is 6 hours. The yield is 82 %.
You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc2nc1ccc3c(c1cc2)cccc3
(2) InChI: InChI=1/C14H8N2/c15-9-11-6-7-13-12-4-2-1-3-10(12)5-8-14(13)16-11/h1-8H
(3) InChIKey: QAUWDZGWYCICEZ-UHFFFAOYAQ