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4546-04-7

Name P-XYLYLENEDIPHOSPHONIC ACID TETRAETHYL ESTER
CAS 4546-04-7
EINECS(EC#) 224-902-0
Molecular Formula C16H28O6P2
MDL Number MFCD00671576
Molecular Weight 378.34
MOL File 4546-04-7.mol
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Chemical Properties

Melting point  76°C
Boiling point  220 °C / 7mmHg
density  1.153±0.06 g/cm3(Predicted)
vapor pressure  0Pa at 25℃
storage temp.  Sealed in dry,Room Temperature
solubility  Soluble in water
form  powder to crystal
color  White to Almost white
Water Solubility  454.7mg/L at 25℃
InChI InChI=1S/C16H28O6P2/c1-5-19-23(17,20-6-2)13-15-9-11-16(12-10-15)14-24(18,21-7-3)22-8-4/h9-12H,5-8,13-14H2,1-4H3
InChIKey XTKQUBKFKSHRPS-UHFFFAOYSA-N
SMILES C1(CP(=O)(OCC)OCC)=CC=C(CP(=O)(OCC)OCC)C=C1
LogP 1.12
CAS DataBase Reference 4546-04-7(CAS DataBase Reference)
EPA Substance Registry System Phosphonic acid, [1,4-phenylenebis(methylene)]bis-, tetraethyl ester (4546-04-7)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
HS Code  29319090

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