CAS No.529-37-3,4-HYDROXYQUINOLINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	529-37-3
Name:	4-HYDROXYQUINOLINE
Article Data:	4

Formula:	C₉H₇NO
Molecular Weight:	145.161
Synonyms:	4(1H)-Quinolone(6CI,7CI,8CI);1,4-Dihydro-4-quinolinone;1H-4-Oxoquinoline;1H-Quinolin-4-one;4-Quinolone;4-Hydroxyquinoline;4-Quinolinol;Kynurine;
EINECS:	210-268-2
Density:	1.188 g/cm³
Melting Point:	200-202 °C(lit.)
Boiling Point:	261.5 °C at 760 mmHg
Flash Point:	122.3 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	32.86000
LogP:	1.52810

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Specification

This chemical is called 4(1H)-Quinolinone, and it can also be named as 4-Quinolone. With the molecular formula of C₉H₇NO, its molecular weight is 145.16. The CAS registry number of this chemical is 529-37-3, and its EINECS number is 210-268-2. Additionally, the systematic name of this chemical is Quinolin-4(1H)-one.

Other characteristics of the 4(1H)-Quinolinone can be summarised as follows: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.5; (5)ACD/BCF (pH 5.5): 46.56; (6)ACD/BCF (pH 7.4): 46.59; (7)ACD/KOC (pH 5.5): 543.9; (8)ACD/KOC (pH 7.4): 544.2; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 41.5 cm³; (15)Molar Volume: 122 cm³; (16)Polarizability: 16.45×10^-24 cm³; (17)Surface Tension: 43.5 dyne/cm; (18)Density: 1.188 g/cm³; (19)Flash Point: 122.3 °C; (20)Enthalpy of Vaporization: 49.93 kJ/mol; (21)Boiling Point: 261.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0115 mmHg at 25°C.

Production method of this chemical: The 4(1H)-Quinolinone, C₁₈H₁₄N₂ and C₂₇H₂₃N₃ could be obtained by the reactant of quinoline. This reaction needs the reagent of sodium naphthalenide, and the solvent of 1,2-dimethoxy-ethane. The yield is 12.4 %. In addition, this reaction should be taken for 3 hours at the temperature of 0 °C.

The 4(1H)-Quinolinone, C18H14N2 and C27H23N3 could be obtained by the reactant of quinoline.

Uses of this chemical: The 1-benzyl-1H-quinolin-4-one could be obtained by the reactants of 4(1H)-Quinolinone and bromomethyl-benzene. This reaction needs the reagent of NaOH, and the solvent of methanol. The yield is 48 %. This reaction should be taken for 1 hour. The other condition is heating.

When you are using this chemical, please be cautious about it as follows: This chemical is irritating to eyes, respiratory system and skin. When you use it, you should wear suitable protective clothing. Besides, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C\2c1c(cccc1)N/C=C/2
2.InChI: InChI=1/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)
3.InChIKey: PMZDQRJGMBOQBF-UHFFFAOYAZ