Quinoline, 3-nitro- supplier | CasNO.17576-53-3

Name
3-Nitroquinoline
EINECS
CAS No. 17576-53-3
Article Data3
CAS DataBase
Density 1.354 g/cm³
Solubility
Melting Point 128 °C
Formula C₉H₆N₂O₂
Boiling Point 317.4 °C at 760 mmHg
Molecular Weight 174.159
Flash Point 145.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Nitroquinoline;3-Nitro Quinoline;
PSA 58.71000
LogP 2.66620

Quinoline, 3-nitro- Specification

The Quinoline, 3-nitro-, with the CAS registry number 17576-53-3, has the systematic name and IUPAC name of 3-nitroquinoline. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₉H₆N₂O₂.

The characteristics of Quinoline, 3-nitro- are as followings: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 18.5; (6)ACD/BCF (pH 7.4): 18.5; (7)ACD/KOC (pH 5.5): 280.97; (8)ACD/KOC (pH 7.4): 280.98; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.71 Å²; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 48.73 cm³; (15)Molar Volume: 128.6 cm³; (16)Polarizability: 19.31×10^-24cm³; (17)Surface Tension: 61.8 dyne/cm; (18)Density: 1.354 g/cm³; (19)Flash Point: 145.8 °C; (20)Enthalpy of Vaporization: 53.66 kJ/mol; (21)Boiling Point: 317.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000718 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c1cc2ccccc2nc1
(2)InChI: InChI=1/C9H6N2O2/c12-11(13)8-5-7-3-1-2-4-9(7)10-6-8/h1-6H
(3)InChIKey: ZXVRNZRQQRBDLX-UHFFFAOYAL

Product Name

3-Nitroquinoline

Quinoline, 3-nitro- Specification

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