CAS No.216018-58-5,2,2':6',2''-TERPYRIDINE-4,4',4''-TRICARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	216018-58-5
Name:	2,2':6',2''-TERPYRIDINE-4,4',4''-TRICARBOXYLIC ACID
Article Data:	6

Formula:	C₁₈H₁₁N₃O₆
Molecular Weight:	365.302
Synonyms:	Acide 2,2':6',2''-terpyridine-4,4',4''-tricarboxylique;
Density:	1.54 g/cm³
Boiling Point:	890.254 °C at 760 mmHg
Flash Point:	492.208 °C
PSA:	150.57000
LogP:	2.30020

Raw Materials

98-01-1

25028-32-4

33354-75-5

Downstream Products

330680-46-1

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Specification

The [2,2':6',2''-Terpyridine]-4,4',4''-tricarboxylicacid, with the CAS registry number 216018-58-5, is also known as Acide 2,2':6',2''-terpyridine-4,4',4''-tricarboxylique. This chemical's molecular formula is C₁₈H₁₁N₃O₆ and molecular weight is 365.30. What's more, its systematic name is 2,2':6',2''-terpyridine-4,4',4''-tricarboxylic acid.

Physical properties of [2,2':6',2''-Terpyridine]-4,4',4''-tricarboxylicacid are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 9; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 150.57 Å²; (10)Index of Refraction: 1.688; (11)Molar Refractivity: 90.501 cm³; (12)Molar Volume: 237.263 cm³; (13)Polarizability: 35.877×10^-24cm³; (14)Surface Tension: 86.137 dyne/cm; (15)Density: 1.54 g/cm³; (16)Flash Point: 492.208 °C; (17)Enthalpy of Vaporization: 135.563 kJ/mol; (18)Boiling Point: 890.254 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cnc(cc1C(=O)O)c2cc(cc(n2)c3cc(ccn3)C(=O)O)C(=O)O
(2)Std. InChI: InChI=1S/C18H11N3O6/c22-16(23)9-1-3-19-12(5-9)14-7-11(18(26)27)8-15(21-14)13-6-10(17(24)25)2-4-20-13/h1-8H,(H,22,23)(H,24,25)(H,26,27)
(3)Std. InChIKey: NTXWAWVRPLVLKC-UHFFFAOYSA-N