IUPAC Name: 2-hydroxy-5-(4-methylphenyl)sulfonyloxybenzenesulfonic acid; piperazine
Empirical Formula: C17H22N2O7S2
Molecular Weight: 430.4958g/mol
H-Bond Donor: 4
H-Bond Acceptor: 9
Rotatable Bond Count: 4
Tautomer Count: 3
Exact Mass: 430.086842
MonoIsotopic Mass: 430.086842
Topological Polar Surface Area: 142
Heavy Atom Count: 28
Formal Charge: 0
Complexity: 591
Flash Point: 373 °C
Enthalpy of Vaporization: 106.65 kJ/mol
Boiling Point: 693.1 °C at 760 mmHg
Vapour Pressure: 3.61E-20 mmHg at 25°C
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)O)S(=O)(=O)O.C1CNCCN1
InChI: InChI=1S/C13H12O7S2.C4H10N2/c1-9-2-5-11(6-3-9)22(18,19)20-10-4-7-12(14)13(8-10)21(15,16)17;1-2-6-4-3-5-1/h2-8,14H,1H3,(H,15,16,17);5-6H,1-4H2
InChIKey: HGAVKWUHBLHFNP-UHFFFAOYSA-N
Structure of Piperazine sultosilate (CAS NO.57775-27-6):
1. | ipr-rat LD50:1272 mg/kg | AFTOD7 Archivos de Farmacologia y Toxicologia. 5 (1979),281. | ||
2. | ipr-mus LD50:834 mg/kg | AFTOD7 Archivos de Farmacologia y Toxicologia. 5 (1979),281. | ||
3. | ipr-dog LD50:605 mg/kg | AFTOD7 Archivos de Farmacologia y Toxicologia. 5 (1979),281. |
Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic fumes of SOx and NOx. See also PIPERAZINE and SULFONATES.
Piperazine sultosilate , its cas register number is 57775-27-6. It also can be called -Hydroxy-5-(((4-methylphenyl)sulfonyl)oxy)benzenesulfonic acid piperazine salt ; 2-Hydroxy-5-tosyloxybenzenesulfonic acid piperazine salt ; 5-Tosiloxi 2-hidroxibenceno sulfonato de piperacina ; A 585 ; Diethylenediamine sultosylate ; EINECS 260-944-6 ; Mimedran ;
Sultosilato de piperacina ; Sultosilic acid, piperazine salt .When Piperazine sultosilate (CAS NO.57775-27-6) is heated to decomposition, it emits toxic fumes of SOx and NOx.
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