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3794-83-0

Basic Information
CAS No.: 3794-83-0
Name: (1-Hydroxyethylidene)bis-phosphonic acid tetrasodium salt
Article Data: 6
Molecular Structure:
Molecular Structure of 3794-83-0 ((1-Hydroxyethylidene)bis-phosphonic acid tetrasodium salt)
Formula: C2H4Na4O7P2
Molecular Weight: 293.956
Synonyms: Phosphonicacid, (1-hydroxyethylidene)bis-, tetrasodium salt (9CI);(Hydroxyethylidene)diphosphonic acid tetrasodium salt;1-Hydroxyethylidene-1,1-diphosphonic acid tetrasodium salt;Chelest PH 214;Defloc EN 43;Dequest 2016D;SHEDN;Sequion 10Na4;Tarpinel 4NL;Tetrasodium1-hydroxy-1,1-ethanediphosphonate;Tetrasodium HEDP;Turpinal 4NL;
EINECS: 223-267-7
Density: 2.074[at 20℃]
Melting Point: 198-199 °C
Boiling Point: 578.8 °C at 760 mmHg
Flash Point: 303.8 °C
Solubility: soluble in water
Appearance: Brown viscous liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/38
Safety: 26-36/37/39-36
PSA: 166.23000
LogP: 0.76060
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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The IUPAC name of Tetrasodium etidronate is tetrasodium 1,1-diphosphonatoethanol. With the CAS registry number , it is also named as Phosphonic acid, (1-hydroxyethylidene)bis-, tetrasodium salt. The product's categories are Chemical Additives; Water Treatment Chemicals; Antiscalants and Disperants; Phosphonate Antiscalant, and the other registry numbers are 104365-97-1; 146437-16-3. Besides, it is brown viscous liquid. In addition, its molecular formula is C2H4Na4O7P2 and molecular weight is 293.96.

The other characteristics of this product can be summarized as: (1)EINECS: 223-267-7; (2)ACD/LogP: -3.54; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): -8.11; (5)ACD/LogD (pH 7.4): -8.86; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 7; (11)#H bond donors: 5; (12)#Freely Rotating Bonds: 3; (13)Polar Surface Area: 143.91 Å2; (14)Flash Point: 303.8 °C; (15)Enthalpy of Vaporization: 99.45 kJ/mol; (16)Boiling Point: 578.8 °C at 760 mmHg; (17)Vapour Pressure: 8.34E-16 mmHg at 25 °C; (18)Melting Point: 198-199 °C.

Preparation and Uses of Tetrasodium etidronate: this chemical can be prepared by the neutralization of 1-Hydroxyethylidene-1,1-diphosphonic acid and aq. Sodium hydroxide, and spray drying. Moreover, this product is used as phosphonate antiscalant, corrosion inhibitor and non-cyanide plating additive. It is excellent inhibitor of Calcium carbonate scale which is used in electric power, chemical, metallurgy and fertilizer industry. Additionally, it is used as cleaning agents, peroxide stabilizing agent and color fixing agent, additive of daily chemical in textile industry.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: [Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)C(O)(C)P(=O)([O-])[O-]
(2)InChI: InChI=1/C2H8O7P2.4Na/c1-2(3,10(4,5)6)11(7,8)9;;;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;;;/q;4*+1/p-4
(3)InChIKey: KWXLCDNSEHTOCB-XBHQNQODAP
(4)Std. InChI: InChI=1S/C2H8O7P2.4Na/c1-2(3,10(4,5)6)11(7,8)9;;;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;;;/q;4*+1/p-4
(5)Std. InChIKey: KWXLCDNSEHTOCB-UHFFFAOYSA-J

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 990mg/kg (990mg/kg) KIDNEY, URETER, AND BLADDER: CHANGES IN BOTH TUBULES AND GLOMERULI Toxicology and Applied Pharmacology. Vol. 22, Pg. 661, 1972.