1,4-Butanediphosphonic acid - CAS 4671-77-6

Catalog:	BB043725
Product Name:	1,4-Butanediphosphonic acid
CAS:	4671-77-6
Synonyms:	1,4-BUTANEDIPHOSPHONIC ACID; 1,4-BUTANEBISPHOSPHONIC ACID; 1,4-BUTYLENEBISPHOSPHONIC ACID; 1,4-Butylenebisphosphonic acid, 98 %; 1,4-Butanediphosphonic acid,98%

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-phosphonobutylphosphonic acid
Description:	1,4-Butanediphosphonic acid (CAS# 4671-77-6 ) is a useful research chemical.
Molecular Weight:	218.08
Molecular Formula:	C4H12O6P2
Canonical SMILES:	C(CCP(=O)(O)O)CP(=O)(O)O
InChI:	InChI=1S/C4H12O6P2/c5-11(6,7)3-1-2-4-12(8,9)10/h1-4H2,(H2,5,6,7)(H2,8,9,10)
InChI Key:	JKTORXLUQLQJCM-UHFFFAOYSA-N
Purity:	98 %
Storage:	Please store the product under the recommended conditions in the Certificate of Analysis.

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Related Functional Groups

Phosphorus Compounds

[169689-05-8]
1S,2S-DHAC-Phenyl Trost Ligand
[65514-03-6]
1-(Methacryloyloxy)ethylphosphonic acid
[757-54-0]
Allylphosphonic acid dimethyl ester
[194931-67-4]
DIETHYL METHYLENEBISPHOSPHONATE-P,P'-DILITHIUM SALT
[124755-24-4]
Ethyl [bis(2,2,2-trifluoroethoxy)phosphinyl]acetate
[23550-25-6]
Ethyl 3-(dimethoxyphosphoryl)propanoate

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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:	190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.01091209
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	218.01091209
Rotatable Bond Count:	5
Topological Polar Surface Area:	115
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-2.7