7-Nitro-1H-quinolin-4-one supplier

Name
4-HYDROXY-7-NITROQUINOLINE
EINECS
CAS No. 6270-14-0
Article Data9
CAS DataBase
Density 1.419 g/cm³
Solubility
Melting Point 314-317 °C (decomp)
Formula C₉H₆N₂O₃
Boiling Point 358.3 °C at 760 mmHg
Molecular Weight 190.158
Flash Point 170.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7-Nitroquinolin-4(1H)-one;
PSA 78.94000
LogP 2.37180

7-Nitro-1H-quinolin-4-one Specification

The 7-Nitro-1H-quinolin-4-one, with the CAS registry number 6270-14-0, is also known as 7-Nitroquinolin-4(1H)-one. This chemical's molecular formula is C₉H₆N₂O₃ and molecular weight is 190.15554. What's more, its IUPAC name is 7-Nitro-1H-quinolin-4-one.

Physical properties about 7-Nitro-1H-quinolin-4-one are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 67.78; (6)ACD/BCF (pH 7.4): 32.85; (7)ACD/KOC (pH 5.5): 546.38; (8)ACD/KOC (pH 7.4): 264.82; (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: 1.636; (14)Molar Refractivity: 48.05 cm³; (15)Molar Volume: 133.9 cm³; (16)Polarizability: 19.05×10^-24 cm³; (17)Surface Tension: 58.6 dyne/cm; (18)Density: 1.419 g/cm³; (19)Flash Point: 170.5 °C; (20)Enthalpy of Vaporization: 60.37 kJ/mol; (21)Boiling Point: 358.3 °C at 760 mmHg; (22)Vapour Pressure: 2.58E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc2c(c1)N/C=C\C2=O
(2) InChI: InChI=1/C9H6N2O3/c12-9-3-4-10-8-5-6(11(13)14)1-2-7(8)9/h1-5H,(H,10,12)
(3) InChIKey: MLPKSYLYDHCVOI-UHFFFAOYAP

Product Name

4-HYDROXY-7-NITROQUINOLINE

7-Nitro-1H-quinolin-4-one Specification

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