6-Iodoquinoline supplier | CasNO.13327-31-6

Name
6-Iodoquinoline
EINECS -0
CAS No. 13327-31-6
Article Data13
CAS DataBase
Density 1.837 g/cm³
Solubility
Melting Point 91°C
Formula C₉H₆IN
Boiling Point 320.71 °C at 760 mmHg
Molecular Weight 255.058
Flash Point 147.76 °C
Transport Information
Appearance
Safety 26-24/25
Risk Codes 22-41
Molecular Structure
Hazard Symbols Xn
Synonyms 6-Iodchinolin;
PSA 12.89000
LogP 2.83940

6-Iodoquinoline Specification

The Quinoline, 6-iodo-, with the CAS registry number 13327-31-6, is also known as 6-Iodchinolin. It belongs to the product categories of Pharmacetical; Halides; Quinolines, Isoquinolines & Quinoxalines. This chemical's molecular formula is C₉H₆IN and molecular weight is 255.06. What's more, both its IUPAC name and systematic name are the same which is called 6-Iodoquinoline.

Physical properties about Quinoline, 6-iodo- are: (1)ACD/LogP: 3.141; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.12; (4)ACD/LogD (pH 7.4): 3.14; (5)ACD/BCF (pH 5.5): 136.39; (6)ACD/BCF (pH 7.4): 143.53; (7)ACD/KOC (pH 5.5): 1156.91; (8)ACD/KOC (pH 7.4): 1217.50; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å²; (13)Index of Refraction: 1.724; (14)Molar Refractivity: 55.093 cm³; (15)Molar Volume: 138.846 cm³; (16)Polarizability: 21.841×10^-24cm³; (17)Surface Tension: 56.62 dyne/cm; (18)Density: 1.837 g/cm³; (19)Flash Point: 147.76 °C; (20)Enthalpy of Vaporization: 54.003 kJ/mol; (21)Boiling Point: 320.71 °C at 760 mmHg; (22)Vapour Pressure: 0.0010 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic1ccc2ncccc2c1
(2) InChI: InChI=1S/C9H6IN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H
(3) InChIKey: WKTASELJZCIVBR-UHFFFAOYSA-N

Product Name

6-Iodoquinoline

6-Iodoquinoline Specification

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