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| CAS No.: | 34690-00-1 |
|---|---|
| Name: | Bis(hexamethylenetriaminepenta(methylenephosphonic acid)) |
| Molecular Structure: | |
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| Formula: | C17H44N3O15P5 |
| Molecular Weight: | 685.416 |
| Synonyms: | Phosphonicacid, [[(phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis-(9CI);(Dihexyltriaminepenta(methylenephosphonic acid));Briquest 5123-45A;Dequest 2090;Dihexamethylenetriaminepentakis(methylenephosphonic acid);Lonza1704;Triaminodihexylenepentakis(methylenephosphonic acid);Unihib 1704; |
| EINECS: | 252-156-6 |
| Density: | 1.606 g/cm3 |
| Boiling Point: | 1002.7 °C at 760 mmHg |
| Flash Point: | 560.2 °C |
| Solubility: | 550g/L at 20℃ |
| Appearance: | Dark brown liquid |
| Hazard Symbols: |
 C
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| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3265 8/PG 3 |
| PSA: | 346.42000 |
| LogP: | 0.68920 |
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Specification
The Phosphonic acid,P,P',P'',P'''-[[(phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis-, with the CAS registry number 34690-00-1, is also known as [[(Phosphonomethyl)imino]bis[hexamethylenenitrilobis(methylene)]]tetrakisphosphonic acid. It belongs to the product categories of Organics; Phosphonate Antiscalant; Organic Building Blocks; Phosphonic/Phosphinic Acids; Phosphorus Compounds. Its EINECS registry number is 252-156-6. This chemical's molecular formula is C17H44N3O15P5 and molecular weight is 685.41. What's more, both its IUPAC name and systematic name are the same which is called [Bis[6-[bis(phosphonomethyl)amino]hexyl]amino]methylphosphonic acid. It is good water solubility and excellent thermal stability, high calcium ion tolerance in a wide PH range and 120 °C high temperature. The production is a efficient chelating scale inhibitor based on the carbonate and sulfate scale.
Physical properties about Phosphonic acid,P,P',P'',P'''-[[(phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis- are: (1)ACD/LogP: -6.49; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -12.36; (4)ACD/LogD (pH 7.4): -16.87; (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: 18; (10)#H bond donors: 10; (11)#Freely Rotating Bonds: 24; (12)Polar Surface Area: 236.42 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 141.68 cm3; (15)Molar Volume: 426.7 cm3; (16)Surface Tension: 89.7 dyne/cm; (17)Density: 1.606 g/cm3; (18)Flash Point: 560.2 °C; (19)Enthalpy of Vaporization: 158.55 kJ/mol; (20)Boiling Point: 1002.7 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin or other mucous membranes and may destroy living tissue on contacting. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=P(O)(O)CN(CP(=O)(O)O)CCCCCCN(CP(=O)(O)O)CCCCCCN(CP(=O)(O)O)CP(=O)(O)O
(2) InChI: InChI=1S/C17H44N3O15P5/c21-36(22,23)13-18(9-5-1-3-7-11-19(14-37(24,25)26)15-38(27,28)29)10-6-2-4-8-12-20(16-39(30,31)32)17-40(33,34)35/h1-17H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)
(3) InChIKey: YWMWZKYVGNWJPU-UHFFFAOYSA-N