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. |
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