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4546-06-9

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4546-06-9 Structure

4546-06-9 Structure
IdentificationBack Directory
[Name]

P-XYLYLENEBISPHOSPHONIC ACID
[CAS]

4546-06-9
[Synonyms]

p-xylene diphosphonic acid
p-Xylylenediphosphonic Acid
P-XYLYLENEBISPHOSPHONIC ACID
p-Xylylenebisphosphonic acid, 98 %
p-Xylylenediphosphonic Acid
1,4-Phenylenebis(methylene)]bis(phosphonic acid)
4-[(Phosphonomethyl)phenyl]methylphosphonic acid
Phosphonic acid, P,P'-[1,4-phenylenebis(methylene)]bis-
[Molecular Formula]

C8H12O6P2
[MDL Number]

MFCD05663703
[MOL File]

4546-06-9.mol
[Molecular Weight]

266.12
Chemical PropertiesBack Directory
[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 DataBack Directory
[Symbol(GHS) ]


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 InformationBack Directory
[Uses]

This molecule is used as a crosslinking agent.
Spectrum DetailBack Directory
[Spectrum Detail]

P-XYLYLENEBISPHOSPHONIC ACID(4546-06-9)1HNMR
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