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13327-31-6

Basic Information
CAS No.: 13327-31-6
Name: 6-Iodoquinoline
Article Data: 13
Molecular Structure:
Molecular Structure of 13327-31-6 (6-Iodoquinoline)
Formula: C9H6IN
Molecular Weight: 255.058
Synonyms: 6-Iodchinolin;
EINECS: -0
Density: 1.837 g/cm3
Melting Point: 91°C
Boiling Point: 320.71 °C at 760 mmHg
Flash Point: 147.76 °C
Hazard Symbols: Xn
Risk Codes: 22-41
Safety: 26-24/25
PSA: 12.89000
LogP: 2.83940
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  • 6-Iodoquinoline

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    13327-31-6

    6-Iodoquinoline

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  • 6-Iodoquinoline cas  13327-31-6

  • Casno:

    13327-31-6

    6-Iodoquinoline cas 13327-31-6

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    6-Iodoquinoline cas 13327-31-6Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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  • 6-Iodoquinoline

  • Casno:

    13327-31-6

    6-Iodoquinoline

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  • 6-Iodoquinoline

  • Casno:

    13327-31-6

    6-Iodoquinoline

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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