Hexaethyl ([2,2':6',2''-terpyridine]-4,4',4''-triyltris(methylene))tris(phosphonate)

Catalog Number	ACM1309964633
CAS	1309964-63-3
Synonyms	4-(Diethoxyphosphorylmethyl)-2,6-bis[4-(diethoxyphosphorylmethyl)pyridin-2-yl]pyridine
IUPAC Name	4-(diethoxyphosphorylmethyl)-2,6-bis[4-(diethoxyphosphorylmethyl)pyridin-2-yl]pyridine
Molecular Weight	683.61
Molecular Formula	C30H44N3O9P3
InChI	LRWSKHATFQSIRC-UHFFFAOYSA-N
InChI Key	InChI=1S/C30H44N3O9P3/c1-7-37-43(34,38-8-2)21-24-13-15-31-27(17-24)29-19-26(23-45(36,41-11-5)42-12-6)20-30(33-29)28-18-25(14-16-32-28)22-44(35,39-9-3)40-10-4/h13-20H,7-12,21-23H2,1-6H3
Purity	98%
Isomeric SMILES	CCOP(=O)(CC1=CC(=NC=C1)C2=CC(=CC(=N2)C3=NC=CC(=C3)CP(=O)(OCC)OCC)CP(=O)(OCC)OCC)OCC

Q&A

What is the CAS number for the compound?

The CAS number for the compound is 1309964-63-3.

What is the molecular weight of the compound?

The molecular weight of the compound is 683.62.

What is the product name for the compound?

The product name is Phosphonic acid, P,P',P''-[[2,2':6',2''-terpyridine]-4,4',4''-triyltris(methylene)]tris-, P,P,P',P',P'',P''-hexaethyl ester.

What is the synonym for the compound?

One synonym for the compound is 4,4',4''-tridiethylmethylphosphonate-2,2':6',2''-terpyridine.

What is the molecular formula of the compound?

The molecular formula of the compound is C30H44N3O9P3.

What is the predicted boiling point of the compound?

The predicted boiling point of the compound is 772.7±60.0 °C.

What is the predicted pKa value of the compound?

The predicted pKa value of the compound is 4.18±0.42.

What is the predicted density of the compound?

The predicted density of the compound is 1.226±0.06 g/cm3.

What functional groups are present in the compound?

The functional groups present in the compound are phosphonate, methyl, and terpyridine.

What is the structure of the compound?

The compound has a hexaethyl ([2,2':6',2''-terpyridine]-4,4',4''-triyltris(methylene))tris(phosphonate) structure.