o-Xylylenediphosphonic Acid - CAS 42104-58-5

Catalog:	BB043475
Product Name:	o-Xylylenediphosphonic Acid
CAS:	42104-58-5
Synonyms:	CHEMBL149219; SCHEMBL8053801; (1,2-Phenylenebis(methylene))bis(phosphonic acid)

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	[2-(phosphonomethyl)phenyl]methylphosphonic acid
Description:	o-Xylylenediphosphonic Acid (CAS# 42104-58-5 ) is a useful research chemical.
Molecular Weight:	266.12
Molecular Formula:	C8H12O6P2
Canonical SMILES:	C1=CC=C(C(=C1)CP(=O)(O)O)CP(=O)(O)O
InChI:	InChI=1S/C8H12O6P2/c9-15(10,11)5-7-3-1-2-4-8(7)6-16(12,13)14/h1-4H,5-6H2,(H2,9,10,11)(H2,12,13,14)
InChI Key:	ZCVUWZJGYKGTPG-UHFFFAOYSA-N
Melting Point:	350 °C
Appearance:	Powder or crystals
Storage:	Room temperature.
MDL:	MFCD22200404

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Related Functional Groups

Phosphorus Compounds

[17919-31-2]
[4-[4-(Phosphonomethyl)phenyl]phenyl]methylphosphonic acid
[84962-98-1]
3-(Trihydroxysilyl)propyl methylphosphonate, monosodium salt solution
[169689-05-8]
1S,2S-DHAC-Phenyl Trost Ligand
[115826-95-4]
Dichloro[(R)-(+)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl]palladium(II)
[39600-44-7]
Glycine,N-(phosphonomethyl)-, 1-methyl ester
[65514-03-6]
1-(Methacryloyloxy)ethylphosphonic acid

GHS Hazard Statement:	H290 (50%): May be corrosive to metals [Warning Corrosive to Metals]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501
Signal Word:	Danger

Complexity:	287
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	266.01091209
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	266.01091209
Rotatable Bond Count:	4
Topological Polar Surface Area:	115
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-2.1