Etidronic acid - CAS 2809-21-4

Catalog:	BB019766
Product Name:	Etidronic acid
CAS:	2809-21-4
Synonyms:	Phosphonic acid, P,P'-(1-hydroxyethylidene)bis-; P,P'-(1-Hydroxyethylidene)bis[phosphonic acid]; (1-Hydroxyethylidene)-1,1-bis(phosphonic acid); (1-Hydroxyethylidene)-1,1-diphosphonic acid; (1-Hydroxyethylidene)bisphosphonic acid; (1-Hydroxyethylidene)diphosphonic acid; 1-Hydroxy-1,1-diphosphonoethane; 1-Hydroxyethane-1,1-bisphosphonic acid; 1-Hydroxyethane-1,1-diphosphonic acid; 1-Hydroxyethane-1,1-diyldiphosphonic acid; 1-Hydroxyethane-1,2-diphosphonic acid; 1-Hydroxyethanediphosphonic acid; 1-Hydroxyethyl-1,1-diphosphoric acid; 1-Hydroxyethylidene-1,1-diphoshonic acid; 1-Hydroxyethylidene-1,1-diphosphoric acid; 1-Hydroxyethylidene-1,1'-diphosphonic acid; Acetodiphosphonic acid; Briquest ADPA-A; EHDP; Ethane-1-hydroxy-1,1-diphosphonic acid; Ethidronate; Ethydronate; Etidronate; H 501 (corrosion inhibitor); HDEPA; HEDP; Hydroxyethanediphosphonic acid; Ksidifon; NSC 227995; OEDF; OEDFK; OEDP; Oxyethylidenediphosphonic acid; Wayplex; Xidifon; Xidiphone; Xydiphone
Application:	Chelating agents

Technical Data

Related CAS:	7414-83-7 (disodium salt)
IUPAC Name:	(1-hydroxy-1-phosphonoethyl)phosphonic acid
Description:	Etidronic acid is widely used as a scale and corrosion inhibitor in industrial circulating cooling water systems of electric power, chemical industry, metallurgy, chemical fertilizer, and also in medium or low-pressure boilers, oilfield water injection, and oil pipeline. HEDP can also be used as a cleaning agent of metal and nonmetal in the textile industry, as a peroxide stabilizer and fixing agent in the bleaching and dyeing industry, as a complexing agent in the cyanide-free electroplating industry, as the carrier of radioactive elements in the pharmaceutical industry, and so on.
Molecular Weight:	206.02
Molecular Formula:	C2H8O7P2
Canonical SMILES:	CC(O)(P(=O)(O)O)P(=O)(O)O
InChI:	InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)
InChI Key:	DBVJJBKOTRCVKF-UHFFFAOYSA-N
Boiling Point:	578.8±60.0°C at 760 mmHg
Melting Point:	155°C (dec.)
Flash Point:	303.8°C
Purity:	≥95%
Density:	2.114±0.06 g/cm3
Solubility:	Soluble in Methanol (Slightly), Water (Slightly)
Appearance:	White Solid
Storage:	Store at 2-8°C
MDL:	MFCD00070585
LogP:	-0.99220
Stability:	Stable. Incompatible with strong oxidizing agents.
Vapor Pressure:	8.34E-16mmHg at 25°C

GHS Hazard Statement:	H290 (28.12%): May be corrosive to metals [Warning Corrosive to Metals]
Precautionary Statement:	P234, P260, P264, P270, P273, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P390, P404, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-2014348916-A1	Treatment of Pain with Oral Dosage Forms Comprising Zoledronic Acid and An Enhancer	20140811
US-2015374599-A1	Flavour and fragrance compositions comprising acetophenone derivatives	20140630
WO-2015197533-A1	Dishwasher detergent comprising phosphate-containing polymers	20140627
WO-2015199728-A1	Controlled swelling of swellable polymers downhole	20140627
US-2015376458-A1	Colloidal silica chemical-mechanical polishing composition	20140625

PMID	Publication Date	Title	Journal
25811541	20150518	Systems pharmacological analysis of drugs inducing stevens-johnson syndrome and toxic epidermal necrolysis	Chemical research in toxicology
25455453	20150105	Screening of a chemical library reveals novel PXR-activating pharmacologic compounds	Toxicology letters
23094669	20121105	From 1D chain to 3D framework uranyl diphosphonates: syntheses, crystal structures, and selective ion exchange	Inorganic chemistry
22677260	20121101	Randomised phase II/III study of docetaxel with or without risedronate in patients with metastatic Castration Resistant Prostate Cancer (CRPC), the Netherlands Prostate Study (NePro)	European journal of cancer (Oxford, England : 1990)
22872218	20121101	Teriparatide accelerates lumbar posterolateral fusion in women with postmenopausal osteoporosis: prospective study	Spine

Complexity:	211
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.97452659
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	5
Isotope Atom Count:	0
Monoisotopic Mass:	205.97452659
Rotatable Bond Count:	2
Topological Polar Surface Area:	135 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-3.7