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220525-60-0

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Basic Information
CAS No.: 220525-60-0
Name: 4'-IODO-2,2':6',2''-TERPYRIDINE
Article Data: 3
Molecular Structure:
Molecular Structure of 220525-60-0 (4'-IODO-2,2':6',2''-TERPYRIDINE)
Formula: C15H10IN3
Molecular Weight: 359.169
Synonyms: 4-IODO-2,2:6,2-TERPYRIDINE
Density: 1.619 g/cm3
Boiling Point: 476.658 °C at 760 mmHg
Flash Point: 242.074 °C
PSA: 38.67000
LogP: 3.81020
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Specification

The CAS registry number of 2,2':6',2''-Terpyridine,4'-iodo- (9CI) is 220525-60-0. This chemical's molecular formula is C15H10IN3 and molecular weight is 359.16. Its systematic name is called 4'-iodo-2,2':6',2''-terpyridine.

Physical properties of 2,2':6',2''-Terpyridine,4'-iodo- (9CI): (1)ACD/LogP: 2.50; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 287; (5)ACD/BCF (pH 7.4): 300; (6)ACD/KOC (pH 5.5): 1971; (7)ACD/KOC (pH 7.4): 2064; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.668; (11)Molar Refractivity: 82.617 cm3; (12)Molar Volume: 221.747 cm3; (13)Surface Tension: 58.035 dyne/cm; (14)Density: 1.62 g/cm3; (15)Flash Point: 242.074 °C; (16)Enthalpy of Vaporization: 71.216 kJ/mol; (17)Boiling Point: 476.658 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by 4'-tributylstannanyl-[2,2';6',2'']terpyridine. This reaction will need reagent I2 and solvent CHCl3 at ambient temperature. The yield is about 48%.

2,2':6',2''-Terpyridine,4'-iodo- (9CI) can be prepared by 4'-tributylstannanyl-[2,2';6',2'']terpyridine

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccnc(c1)c2cc(cc(n2)c3ccccn3)I
(2)InChI: InChI=1/C15H10IN3/c16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H
(3)InChIKey: JMHKKVCRIHPIDQ-UHFFFAOYAK