2-Oxo-1,2-dihydroquinoline-3-carbonitrile supplier

Name
2-OXO-1,2-DIHYDRO-3-QUINOLINECARBONITRILE
EINECS
CAS No. 36926-82-6
Article Data15
CAS DataBase
Density 1.32 g/cm³
Solubility
Melting Point 314-318 °C
Formula C₁₀H₆N₂O
Boiling Point 402.8 °C at 760 mmHg
Molecular Weight 170.17
Flash Point 197.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Quinolinecarbonitrile,2-hydroxy- (6CI);1,2-Dihydro-2-oxo-3-quinolinecarbonitrile;2-Hydroxy-3-quinolinecarbonitrile;3-Cyano-2-quinolone;
PSA 56.65000
LogP 1.39978

2-Oxo-1,2-dihydroquinoline-3-carbonitrile Specification

The 3-Quinolinecarbonitrile,1,2-dihydro-2-oxo-, with the CAS registry number 36926-82-6, has the systematic name of 2-oxo-1,2-dihydroquinoline-3-carbonitrile. It is also called 2-oxo-1H-quinoline-3-carbonitrile. And the molecular formula of the chemical is C₁₀H₆N₂O.

The characteristics of 3-Quinolinecarbonitrile,1,2-dihydro-2-oxo- are as followings: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.95; (4)ACD/LogD (pH 7.4): 0.95; (5)ACD/BCF (pH 5.5): 3.1; (6)ACD/BCF (pH 7.4): 3.09; (7)ACD/KOC (pH 5.5): 78.26; (8)ACD/KOC (pH 7.4): 77.91; (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: 1.645; (14)Molar Refractivity: 46.61 cm³; (15)Molar Volume: 128.5 cm³; (16)Polarizability: 18.47×10^-24cm³; (17)Surface Tension: 61 dyne/cm; (18)Density: 1.32 g/cm³; (19)Flash Point: 197.4 °C; (20)Enthalpy of Vaporization: 65.4 kJ/mol; (21)Boiling Point: 402.8 °C at 760 mmHg; (22)Vapour Pressure: 1.07E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#C\C2=C\c1c(cccc1)NC2=O
(2)InChI: InChI=1/C10H6N2O/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13/h1-5H,(H,12,13)
(3)InChIKey: WNRMLIGSXULUPQ-UHFFFAOYAF

Product Name

2-OXO-1,2-DIHYDRO-3-QUINOLINECARBONITRILE

2-Oxo-1,2-dihydroquinoline-3-carbonitrile Specification

Related Products

Hot Products