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2809-21-4

2809-21-4 Structure

2809-21-4 Structure
IdentificationMore
[Name]

1-Hydroxyethylidene-1,1-diphosphonic acid
[CAS]

2809-21-4
[Synonyms]

(1-HYDROXY-1-PHOSPHONO-ETHYL)-PHOSPHONIC ACID
1-HYDROXYETHANE-1,1-BIS(PHOSPHONIC ACID)
1-HYDROXYETHANE-1,1-DIPHOSPHONIC ACID
1-HYDROXYETHYLIDENE-1
1-HYDROXYETHYLIDENE-1,1-DIPHOSPHONIC ACID
1-HYDROXYETHYLIDENEDIPHOSPHONIC ACID
DEQUEST 2010
ETHANE-1-HYDROXY-1,1-DIPHOSPHONIC ACID
ETIDRONIC ACID
HEDP
HEDPA
(1-hydroxyethylene)diphosphonicacid
(1-hydroxyethylidene)bis-phosphonicaci
(1-hydroxyethylidene)di-phosphonicaci
(hydroxyethylidene)diphosphonicacid
1,1,1-ethanetrioldiphosphonate
1000sl
1-hydroxy-1,1-diphosphonoethane
1-Hydroxyethanediphosphonica
1-hydroxyethanediphosphonicacid
[EINECS(EC#)]

220-552-8
[Molecular Formula]

C2H8O7P2
[MDL Number]

MFCD00070585
[Molecular Weight]

206.03
[MOL File]

2809-21-4.mol
Chemical PropertiesBack Directory
[Appearance]

light beige powder
[Melting point ]

198~199℃
[mp ]

198~199℃
[Boiling point ]

578.8±60.0 °C(Predicted)
[density ]

1.45 (60% aq.)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

1.35, 2.87, 7.03, 11.3(at 25℃)
[form ]

Powder
[color ]

white
[Stability:]

Stable. Incompatible with strong oxidizing agents.
[PH]

pH (1.7→100, 25℃) : 1.3~1.8
[Water Solubility ]

Soluble in water.
[Merck ]

14,3863
[BRN ]

1789291
[InChIKey]

DBVJJBKOTRCVKF-UHFFFAOYSA-N
[CAS DataBase Reference]

2809-21-4(CAS DataBase Reference)
[EPA Substance Registry System]

2809-21-4(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
[RIDADR ]

UN 3265
[WGK Germany ]

2
[RTECS ]

SZ8562100
[F ]

10
[TSCA ]

Yes
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

29319099
[Hazardous Substances Data]

2809-21-4(Hazardous Substances Data)
[Toxicity]

LD50 oral in mouse: 1800mg/kg
Raw materials And Preparation ProductsBack Directory
【Raw materials】

Hydrochloric acid-->Acetic acid-->Phosphorus trichloride-->Diethylenetriamine
【Preparation Products】

efficient complex formulationof corrosion and scale control-->NS series corrision and scale inhibitors-->scale inhibitor and sipersant TS-104-->(1-Hydroxyethylidene)bis-phosphonic acid tetrasodium salt
Hazard InformationBack Directory
[Chemical Properties]

light beige powder
[Originator]

Etidron,Gentili,Italy,1977
[Uses]

Etidronate (Didronel) is a human protein tyrosine phosphatase inhibitor with IC50 of 0.2 μM.
[Definition]

ChEBI: A 1,1-bis(phosphonic acid) that is (ethane-1,1-diyl)bis(phosphonic acid) having a hydroxy substituent at the 1-position. It inhibits the formation, growth, and dissolution of hydroxyapatite crystals by chemisorption to calcium phosphate surfaces.
[Manufacturing Process]

Phosphorous acid was premixed with acetic acid to form a 50 wt % solution of phosphorous acid dissolved in acetic acid. The acids were mixed on a molar basis of 1.36:1, acetic acid to phosphorous acid, and this corresponded on a mol percentage basis to 57.6% acetic acid and 42.4% phosphorous acid. Acetic anhydride was continuously metered into a stream of the phosphorous acid-acetic acid mixture to form the reaction solution. The acetic anhydride was metered into the acid mixture at a mol ratio of 1.33 mols of acetic anhydride per mol of phosphorous acid. The metering rates were 18.5 lb/hr of the phosphorous acid/acetic acid premixed solution and 15.1 lb/hr acetic anhydride. The reaction solution was continuously passed through a heat exchanger where it was heated to 190°F then it was continuously fed into a two stage back-mix reaction zone where due to the heat of reaction the temperature rose to 275°F. The average residence in the reaction zone was 27 min. The reaction zone consisted of two back-mix reactors each having a capacity of 7.5 pounds of the reaction solution. A stream of reaction solution was continuously with drawn from the second reactor and continuously mixed with a stream of water which was being metered at a rate of 2 lb/hr. This amount of water corresponded to 18% excess over the theoretical amount necessary to hydrolyze all of the acetyl-containing compounds in the reaction solution to free acids. The hydrolyzed solution was continuously passed through a heat exchanger and cooled to room temperature after which the solution was continuously passed to a crystallizer where, with agitation, the ethane-1-hydroxy-1,1-diphosphonic acid crystallized. The slurry was then filtered and the crystals were recovered and dried. Analysis of the product showed a conversion rate of phosphorous acid to ethane-1-hydroxy-1,1- diphosphonic acid of 86%. Sodium hydroxide may be used to give the disodium salt.
[Brand name]

Didronel (Millot Laboratories, France); Didronel (Procter & Gamble).
[Therapeutic Function]

Bone calcium regulator
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

1-Hydroxyethylidenebis(phosphonic acid), 96%(2809-21-4)
[Sigma Aldrich]

2809-21-4(sigmaaldrich)
[TCI AMERICA]

1-Hydroxyethane-1,1-diphosphonic Acid  (ca. 60% in Water, ca. 4.2mol/L)(2809-21-4)
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