CAS No.50332-66-6,3-NITRO-4-QUINOLINOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	50332-66-6
Name:	3-NITRO-4-QUINOLINOL
Article Data:	29

Formula:	C₉H₆N₂O₃
Molecular Weight:	190.158
Synonyms:	3-Nitro-4-hydroxyquinoline;3-Nitro-4-quinolinol;4-Hydroxy-3-nitroquinoline;NSC 246074;NSC 299179;3-Nitroquinolin-4(1H)-one;
Density:	1.45 g/cm³
Melting Point:	>300 °C
Boiling Point:	312.3 °C at 760 mmHg
Flash Point:	142.7 °C
Appearance:	Tan Solid
Risk Codes:	25-37-38-41
Safety:	26-36/37/39
PSA:	78.94000
LogP:	2.37180

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Specification

The 4-Quinolinol, 3-nitro-, with the CAS registry number 50332-66-6, is also known as 3-Nitro-4-quinolinol. It belongs to the product categories of Pharmacetical; Heterocyclic Compounds; Heterocycles. This chemical's molecular formula is C₉H₆N₂O₃ and molecular weight is 190.16. What's more, its systematic name is 3-Nitroquinolin-4(1H)-one.

Physical properties of 4-Quinolinol, 3-nitro- are: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.39; (4)ACD/LogD (pH 7.4): 0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.96; (8)ACD/KOC (pH 7.4): 1.35; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 66.13 Å²; (13)Index of Refraction: 1.657; (14)Molar Refractivity: 48.08 cm³; (15)Molar Volume: 130.5 cm³; (16)Polarizability: 19.06×10^-24cm³; (17)Surface Tension: 63.5 dyne/cm; (18)Density: 1.45 g/cm³; (19)Flash Point: 142.7 °C; (20)Enthalpy of Vaporization: 55.33 kJ/mol; (21)Boiling Point: 312.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000534 mmHg at 25°C.

Uses of 4-Quinolinol, 3-nitro-: it can be used to produce 4-chloro-3-nitro-quinoline by heating. It will need reagent POCl₃ with the reaction time of 0.5 hour. The yield is about 89%.

4-Quinolinol, 3-nitro- can be used to produce 4-chloro-3-nitro-quinoline by heating

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=O)C(=CN2)[N+](=O)[O-]
(2)InChI: InChI=1S/C9H6N2O3/c12-9-6-3-1-2-4-7(6)10-5-8(9)11(13)14/h1-5H,(H,10,12)
(3)InChIKey: ZWISCKSGNCMAQO-UHFFFAOYSA-N