Trimethyl 2,2':6',2''-terpyridine-4,4',4''-tricarboxylate supplier

Name
Trimethyl 2,2':6',2''-terpyridine-4,4',4''-tricarboxylate
EINECS
CAS No. 330680-46-1
Article Data6
CAS DataBase
Density 1.3 g/cm³
Solubility
Melting Point 239.0 to 243.0 °C
Formula C₂₁H₁₇N₃O₆
Boiling Point 603.8 °C at 760 mmHg
Molecular Weight 407.382
Flash Point 319 °C
Transport Information
Appearance
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms [2,2':6',2''-Terpyridine]-4,4',4''-tricarboxylic acid, trimethyl ester;2,2':6',2''-Terpyridine-4,4',4''-tricarboxylate de triméthyle;
PSA 117.57000
LogP 2.56540

Trimethyl 2,2':6',2''-terpyridine-4,4',4''-tricarboxylate Specification

The Trimethyl 2,2':6',2''-terpyridine-4,4',4''-tricarboxylate with CAS registry number of 330680-46-1 is also known as 2,2':6',2''-Terpyridine-4,4',4''-tricarboxylate de triméthyle. The systematic name and product name are the same. In addition, the formula is C₂₁H₁₇N₃O₆ and the molecular weight is 407.38.

Physical properties about Trimethyl 2,2':6',2''-terpyridine-4,4',4''-tricarboxylate are: (1)ACD/LogP: 3.70; (2)ACD/LogD (pH 5.5): 3.7; (3)ACD/LogD (pH 7.4): 3.7; (4)#H bond acceptors: 9; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 117.57Å²; (7)Index of Refraction: 1.585; (8)Molar Refractivity: 105.03 cm³; (9)Molar Volume: 313.3 cm³; (10)Polarizability: 41.63×10^-24cm³; (11)Surface Tension: 54.3 dyne/cm; (12)Density: 1.3 g/cm³; (13)Flash Point: 319 °C; (14)Enthalpy of Vaporization: 89.81 kJ/mol; (15)Boiling Point: 603.8 °C at 760 mmHg; (16)Vapour Pressure: 1.56E-14 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: COC(=O)c1ccnc(c1)c2cc(cc(n2)c3cc(ccn3)C(=O)OC)C(=O)OC
2. InChI: InChI=1/C21H17N3O6/c1-28-19(25)12-4-6-22-15(8-12)17-10-14(21(27)30-3)11-18(24-17)16-9-13(5-7-23-16)20(26)29-2/h4-11H,1-3H3
3. InChIKey: YDXTYOYBYASPDS-UHFFFAOYAF
4. Std. InChI: InChI=1S/C21H17N3O6/c1-28-19(25)12-4-6-22-15(8-12)17-10-14(21(27)30-3)11-18(24-17)16-9-13(5-7-23-16)20(26)29-2/h4-11H,1-3H3
5. Std. InChIKey: YDXTYOYBYASPDS-UHFFFAOYSA-N

Product Name

Trimethyl 2,2':6',2''-terpyridine-4,4',4''-tricarboxylate

Trimethyl 2,2':6',2''-terpyridine-4,4',4''-tricarboxylate Specification

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