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9,10-Bis(diethylphosphonomethyl)anthracene

Catalog Number
ACM60974927-1
CAS Number
60974-92-7
Product Name
9,10-Bis(diethylphosphonomethyl)anthracene
Structure
Category
Electroluminescence Materials
Synonyms
[Anthracene-9,10-diylbis(methylene)]bisphosphonic Acid Tetraethyl Ester; Tetraethyl [Anthracene-9,10-diylbis(methylene)]bisphosphonate
IUPAC Name
9,10-bis(diethoxyphosphorylmethyl)anthracene
Molecular Weight
478.46
Molecular Formula
C24H32O6P2
Canonical SMILES
CCOP(=O)(CC1=C2C=CC=CC2=C(C3=CC=CC=C31)CP(=O)(OCC)OCC)OCC
InChI
PKLFGXZSNISEOV-UHFFFAOYSA-N
InChI Key
InChI=1S/C24H32O6P2/c1-5-27-31(25,28-6-2)17-23-19-13-9-11-15-21(19)24(22-16-12-10-14-20(22)23)18-32(26,29-7-3)30-8-4/h9-16H,5-8,17-18H2,1-4H3
Boiling Point
634.9±48.0 °C(Predicted)
Melting Point
158-162 °C
Purity
98%
Appearance
Solid
Complexity
571
Covalently-Bonded Unit Count
1
Exact Mass
478.167413g/mol
Formal Charge
0
Heavy Atom Count
32
Isomeric SMILES
CCOP(=O)(CC1=C2C=CC=CC2=C(C3=CC=CC=C31)CP(=O)(OCC)OCC)OCC
Monoisotopic Mass
478.167413g/mol
Rotatable Bond Count
12
XLogP3
4
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