CAS No.31570-97-5,5-HYDROXY-2(1H)-QUINOLINONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	31570-97-5
Name:	5-HYDROXY-2(1H)-QUINOLINONE
Article Data:	7

Formula:	C₉H₇NO₂
Molecular Weight:	161.16
Synonyms:	5-Hydroxy-2(1H)-quinolone;5-Hydroxycarbostyril;5-Hydroxyquinolin-2(1H)-one;NSC 134652;5-hydroxyquinolin-2(1H)-one;
Density:	1.337 g/cm³
Melting Point:	>300°C
Boiling Point:	402.4 °C at 760 mmHg
Flash Point:	197.2 °C
Hazard Symbols:	Xi
PSA:	53.09000
LogP:	1.23370

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Specification

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