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8-Quinolinol,8-(hydrogen sulfate), potassium salt (1:1) (14534-95-3)

Identification
Name:8-Quinolinol,8-(hydrogen sulfate), potassium salt (1:1)
Synonyms:8-Quinolinol,hydrogen sulfate (ester), potassium salt (8CI,9CI);8-Quinolyl potassiumsulfate (7CI);8-Quinolinol potassium sulfate;Hydroxyquinoline potassiumsulfate;Potassium 8-hydroxyquinoline sulfate;Potassium 8-quinolyl sulfate;Potassium hydroxyquinoline sulfate;
CAS:14534-95-3
EINECS: 238-567-3
Molecular Formula: C9H6KNO4S
Molecular Weight: 263.31154
InChI: InChI=1/C9H7NO4S.K/c11-15(12,13)14-8-5-1-3-7-4-2-6-10-9(7)8;/h1-6H,(H,11,12,13);/q;+1/p-1
Molecular Structure: (C9H6KNO4S) 8-Quinolinol,hydrogen sulfate (ester), potassium salt (8CI,9CI);8-Quinolyl potassiumsulfate (7CI);8-...
Properties
Flash Point: °C
Boiling Point: °Cat760mmHg
Density:g/cm3
Specification:

The 8-Hydroxyquinoline potassium sulfate, with the CAS registry number 14534-95-3, is also known as Potassium hydroxyquinoline sulfate. Its EINECS registry number is 238-567-3. This chemical's molecular formula is C9H6KNO4S and molecular weight is 263.31. Its IUPAC name is called potassium quinolin-8-yl sulfate.

Physical properties of 8-Hydroxyquinoline potassium sulfate: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.07; (4)ACD/LogD (pH 7.4): -2.33; (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: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 84.87 Å2.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C(=C1)OS(=O)(=O)[O-])N=CC=C2.[K+]
(2)InChI: InChI=1S/C9H7NO4S.K/c11-15(12,13)14-8-5-1-3-7-4-2-6-10-9(7)8;/h1-6H,(H,11,12,13);/q;+1/p-1
(3)InChIKey: DWBSXHMYTSZXQL-UHFFFAOYSA-M

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 206mg/kg (206mg/kg)   Pharmazie. Vol. 1, Pg. 150, 1946.

Flash Point: °C
Safety Data
 

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