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Basic Information
CAS No.: 1006-47-9
Name: 8-Iodo quinoline
Article Data: 12
Molecular Structure:
Molecular Structure of 1006-47-9 (8-Iodo quinoline)
Formula: C9H6IN
Molecular Weight: 255.058
Synonyms: 1006-47-9;Quinoline, 8-iodo-;T66 BNJ JI
EINECS: 811-836-8
Density: 1.837 g/cm3
Melting Point: 36 °C
Boiling Point: 320.7 °C at 760 mmHg
Flash Point: 147.8 °C
PSA: 12.89000
LogP: 2.83940
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  • 8-Iodoquinoline

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    8-Iodoquinoline

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  • 8-Iodo quinoline

  • Casno:

    1006-47-9

    8-Iodo quinoline

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Specification

The 8-Iodoquinoline, with the CAS registry number 1006-47-9, is also known as Quinoline, 8-iodo-. This chemical's molecular formula is C9H6IN and molecular weight is 255.05511. Its IUPAC name is called 8-iodoquinoline.

Physical properties of 8-Iodoquinoline: (1)ACD/LogP: 3.12; (2)ACD/LogD (pH 5.5): 3.11; (3)ACD/LogD (pH 7.4): 3.12; (4)ACD/BCF (pH 5.5): 137.14; (5)ACD/BCF (pH 7.4): 137.37; (6)ACD/KOC (pH 5.5): 1178.14; (7)ACD/KOC (pH 7.4): 1180.07; (8)#H bond acceptors: 1; (9)Index of Refraction: 1.724; (10)Molar Refractivity: 55.09 cm3; (11)Molar Volume: 138.8 cm3; (12)Surface Tension: 56.6 dyne/cm; (13)Density: 1.837 g/cm3; (14)Flash Point: 147.8 °C; (15)Enthalpy of Vaporization: 54 kJ/mol; (16)Boiling Point: 320.7 °C at 760 mmHg; (17)Vapour Pressure: 0.000585 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C(=C1)I)N=CC=C2
(2)InChI: InChI=1S/C9H6IN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H
(3)InChIKey: OBEGSKDGFBFMFJ-UHFFFAOYSA-N