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Name |
2(1H)-Quinolinone,5-hydroxy- |
EINECS | N/A |
CAS No. | 31570-97-5 | Density | 1.337 g/cm3 |
PSA | 53.09000 | LogP | 1.23370 |
Solubility | N/A | Melting Point |
>300°C |
Formula | C9H7NO2 | Boiling Point | 402.4 °C at 760 mmHg |
Molecular Weight | 161.16 | Flash Point | 197.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
5-Hydroxy-2(1H)-quinolone;5-Hydroxycarbostyril;5-Hydroxyquinolin-2(1H)-one;NSC 134652;5-hydroxyquinolin-2(1H)-one; |
Article Data | 7 |
The 2(1H)-Quinolinone,5-hydroxy-, with the CAS registry number 31570-97-5, has the systematic name of 5-hydroxyquinolin-2(1H)-one. It belongs to the product category of Pyrimidine, and the molecular formula of the chemical is C9H7NO2.
The characteristics of 2(1H)-Quinolinone,5-hydroxy- are as followings: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.38; (4)ACD/LogD (pH 7.4): 1.36; (5)ACD/BCF (pH 5.5): 6.55; (6)ACD/BCF (pH 7.4): 6.27; (7)ACD/KOC (pH 5.5): 133.65; (8)ACD/KOC (pH 7.4): 127.82; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 43.39 cm3; (15)Molar Volume: 120.5 cm3; (16)Polarizability: 17.2×10-24cm3; (17)Surface Tension: 55.3 dyne/cm; (18)Density: 1.337 g/cm3; (19)Flash Point: 197.2 °C; (20)Enthalpy of Vaporization: 67.9 kJ/mol; (21)Boiling Point: 402.4 °C at 760 mmHg; (22)Vapour Pressure: 4.73E-07 mmHg at 25°C.
Uses of 2(1H)-Quinolinone,5-hydroxy-: It can react with methanol to produce 5-methoxy-1H-quinolin-2-one. This reaction will need reagent aq. KOH. The reaction time is 10 hours with temperature of 50°C, and the yield is about 38%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C2/C=C\c1c(O)cccc1N2
(2)InChI: InChI=1/C9H7NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h1-5,11H,(H,10,12)
(3)InChIKey: XOXGLLQTNQBDKL-UHFFFAOYAC