6-Quinolinecarbonitrile,1,2-dihydro-2-oxo- supplier

Name
2-OXO-1,2-DIHYDROQUINOLINE-6-CARBONITRILE
EINECS
CAS No. 63124-11-8
Article Data6
CAS DataBase
Density 1.32 g/cm³
Solubility
Melting Point
Formula C₁₀H₆N₂O
Boiling Point 420.2 °C at 760 mmHg
Molecular Weight 170.17
Flash Point 207.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Cyano-2-quinolone;2-Oxo-1,2-dihydroquinoline-6-carbonitrile;
PSA 56.65000
LogP 1.39978

6-Quinolinecarbonitrile,1,2-dihydro-2-oxo- Specification

The 6-Quinolinecarbonitrile,1,2-dihydro-2-oxo-, with the CAS registry number 63124-11-8, is also known as 6-Cyano-2-quinolone. This chemical's molecular formula is C₁₀H₆N₂O and molecular weight is 170.17. What's more, its systematic name is 2-Oxo-1,2-dihydroquinoline-6-carbonitrile.

Physical properties of 6-Quinolinecarbonitrile,1,2-dihydro-2-oxo- are: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.17; (4)ACD/LogD (pH 7.4): 1.17; (5)ACD/BCF (pH 5.5): 4.56; (6)ACD/BCF (pH 7.4): 4.56; (7)ACD/KOC (pH 5.5): 103.18; (8)ACD/KOC (pH 7.4): 103.11; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 44.1 Å²; (13)Index of Refraction: 1.651; (14)Molar Refractivity: 46.83 cm³; (15)Molar Volume: 128.2 cm³; (16)Polarizability: 18.56×10^-24cm³; (17)Surface Tension: 62.9 dyne/cm; (18)Density: 1.32 g/cm³; (19)Flash Point: 207.9 °C; (20)Enthalpy of Vaporization: 67.4 kJ/mol; (21)Boiling Point: 420.2 °C at 760 mmHg; (22)Vapour Pressure: 2.86E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2ccc1c(\C=C/C(=O)N1)c2
(2)InChI: InChI=1S/C10H6N2O/c11-6-7-1-3-9-8(5-7)2-4-10(13)12-9/h1-5H,(H,12,13)
(3)InChIKey: WXORYMJWFSZLIB-UHFFFAOYSA-N

Product Name

2-OXO-1,2-DIHYDROQUINOLINE-6-CARBONITRILE

6-Quinolinecarbonitrile,1,2-dihydro-2-oxo- Specification

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