4546-06-9

Name P-XYLYLENEBISPHOSPHONIC ACID
CAS 4546-06-9
Molecular Formula C8H12O6P2
MDL Number MFCD05663703
Molecular Weight 266.12
MOL File 4546-06-9.mol
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Chemical Properties

Melting point  280°C(lit.)
Boiling point  624.4±65.0 °C(Predicted)
density  1.659±0.06 g/cm3(Predicted)
form  powder to crystaline
pka 1.88±0.10(Predicted)
color  White to Light yellow
InChI InChI=1S/C8H12O6P2/c9-15(10,11)5-7-1-2-8(4-3-7)6-16(12,13)14/h1-4H,5-6H2,(H2,9,10,11)(H2,12,13,14)
InChIKey ZURHBENZJDSCRG-UHFFFAOYSA-N
SMILES C1(CP(=O)(O)O)=CC=C(CP(=O)(O)O)C=C1
CAS DataBase Reference 4546-06-9

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P280-P305+P351+P338-P337+P313
RIDADR  UN 3261 8/PG III
HS Code  2931.90.6000
HazardClass  8
PackingGroup  III

Hazard Information

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