Basic Information | Post buying leads | Suppliers |
Name |
Tiludronic acid disodium salt |
EINECS | N/A |
CAS No. | 149845-07-8 | Density | N/A |
PSA | 165.64000 | LogP | 2.94750 |
Solubility | N/A | Melting Point |
>300°C |
Formula | C7H7ClNa2O6P2S | Boiling Point | 600.7 °C at 760 mmHg |
Molecular Weight | 362.575 | Flash Point | 317.1 °C |
Transport Information | N/A | Appearance | Fine White to Off-White Crystalline Powder |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Phosphonicacid, [[(4-chlorophenyl)thio]methylene]bis-, disodium salt (9CI);Disodiumtiludronate;SR 41319B;SR 41319G;Skelid;Tiludronate disodium; |
The Tiludronic acid disodium salt with the CAS number 149845-07-8 is also called Phosphonic acid,[[(4-chlorophenyl)thio]methylene]bis-, sodium salt (1:2). The IUPAC name is disodium[(4-chlorophenyl)sulfanyl-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate. Its molecular formula is C7H7ClNa2O6P2S. This chemical belongs to the following product categories: (1)Intermediates & Fine Chemicals; (2)Pharmaceuticals; (3)Phosphorylating and Phosphitylating Agents.
The properties of the chemical are: (1)ACD/LogP: -0.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.95; (4)ACD/LogD (pH 7.4): -5.71; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 137.98 Å2; (13)Enthalpy of Vaporization: 94.02 kJ/mol; (14)Vapour Pressure: 2.79×10-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].Clc1ccc(SC(P([O-])(=O)O)P([O-])(=O)O)cc1
(2)InChI: InChI=1/C7H9ClO6P2S.2Na/c8-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14;;/h1-4,7H,(H2,9,10,11)(H2,12,13,14);;/q;2*+1/p-2
(3)InChIKey: SKUHWSDHMJMHIW-NUQVWONBAI