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Basic Information
CAS No.: 57775-27-6
Name: 2-hydroxy-5-[[(p-tolyl)sulphonyl]oxy]benzenesulphonic acid, compound with piperazine (1:1)
Molecular Structure:
Molecular Structure of 57775-27-6 (2-hydroxy-5-[[(p-tolyl)sulphonyl]oxy]benzenesulphonic acid, compound with piperazine (1:1))
Formula: C13H12O7S2•C4H10N2
Molecular Weight: 430.503
Synonyms: A 585;compound with piperazine (1:1);piperazine salt of 2,5-dihydroxybenzenesulphonic acid monotosylate;2-hydroxy-5-{[(p-tolyl)sulfonyl]oxy}benzenesulfonic acid;PIPERAZINE SULTOSILATE;
Density: g/cm3
Melting Point: 174°
Boiling Point: 693.1°Cat760mmHg
Flash Point: 373°C
Safety: Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic fumes of SOx and NOx. See also PIPERAZINE and SULFONATES.
PSA: 158.79000
LogP: 3.71340
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Chemistry

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):

Toxicity Data With Reference

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.

Safety Profile

Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic fumes of SOx and NOx. See also PIPERAZINE and SULFONATES.

Specification

  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.