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42595-45-9

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Basic Information
CAS No.: 42595-45-9
Name: Bis[(5-ethyl-2-methyl-1,3,2-dioxaphosphorinan-5-yl)methyl] methyl phosphonate P,P'-dioxide
Molecular Structure:
Molecular Structure of 42595-45-9 (Bis[(5-ethyl-2-methyl-1,3,2-dioxaphosphorinan-5-yl)methyl] methyl phosphonate P,P'-dioxide)
Formula: C15H31O9P3
Molecular Weight: 448.32
Synonyms: Phosphonicacid, methyl-, bis[(5-ethyl-2-methyl-1,3,2-dioxaphosphorinan-5-yl)methyl]ester, P,P'-dioxide;Phosphonic acid, methyl-,bis[(5-ethyl-2-methyl-2-oxido-1,3,2-dioxaphosphorinan-5-yl)methyl] ester (9CI);Amgard P 1045;Antiblaze1045;
EINECS: 255-902-9
Density: 1.27 g/cm3
Boiling Point: 533.1 °C at 760 mmHg
Flash Point: 289.2 °C
Solubility: miscible with water
PSA: 136.02000
LogP: 4.37470
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Chemistry

Molecule structure of Bis[(5-ethyl-2-methyl-1,3,2-dioxaphosphorinan-5-yl)methyl] methyl phosphonate P,P'-dioxide (CAS NO.42595-45-9):

IUPAC Name: 4-Ethyl-4-[[(1-ethyl-4-methyl-4-oxo-3,5-dioxa-4λ5-phosphacyclohex-1-yl)methoxy-methylphosphoryl]oxymethyl]-1-methyl-2,6-dioxa-1λ5-phosphacyclohexane 1-oxide 
Molecular Weight: 448.322523 g/mol
Molecular Formula: C15H31O9P3 
Density: 1.27 g/cm3 
Boiling Point: 533.1 °C at 760 mmHg 
Flash Point: 289.2 °C
Index of Refraction: 1.468
Molar Refractivity: 98.09 cm3
Molar Volume: 352.8 cm3 
Surface Tension: 42.4 dyne/cm
Enthalpy of Vaporization: 77.86 kJ/mol
Vapour Pressure: 6.58E-11 mmHg at 25 °C 
Water Solubility: miscible
XLogP3-AA: -0.5
H-Bond Acceptor: 9
Rotatable Bond Count: 8
Exact Mass: 448.118092
MonoIsotopic Mass: 448.118092
Topological Polar Surface Area: 107
Heavy Atom Count: 27
Canonical SMILES: CCC1(COP(=O)(OC1)C)COP(=O)(C)OCC2(COP(=O)(OC2)C)CC
InChI: InChI=1S/C15H31O9P3/c1-6-14(8-19-25(3,16)20-9-14)12-23-27(5,18)24-13-15(7-2)10-21-26(4,17)22-11-15/h6-13H2,1-5H3
InChIKey: WUGSTSBQFHQUJQ-UHFFFAOYSA-N 
EINECS: 255-902-9
Product Categories of Bis[(5-ethyl-2-methyl-1,3,2-dioxaphosphorinan-5-yl)methyl] methyl phosphonate P,P'-dioxide (CAS NO.42595-45-9): Catalysts and additives; flame retardants

Specification

 Bis[(5-ethyl-2-methyl-1,3,2-dioxaphosphorinan-5-yl)methyl] methyl phosphonate P,P'-dioxide (CAS NO.42595-45-9) is also named as Phosphonic acid, P-methyl-, bis((5-ethyl-2-methyl-2-oxido-1,3,2-dioxaphosphorinan-5-yl)methyl) ester ; Phosphonic acid, methyl-, bis((5-ethyl-2-methyl-2-oxido-1,3,2-dioxaphosphorinan-5-yl)methyl) ester .