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Zinc bis(4-hydroxybenzenesulfonate)

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Name

Zinc bis(4-hydroxybenzenesulfonate)

EINECS 204-867-8
CAS No. 127-82-2 Density N/A
PSA 171.62000 LogP 2.75170
Solubility N/A Melting Point N/A
Formula C6H6O4S. 1/2Zn Boiling Point N/A
Molecular Weight 413.73 Flash Point N/A
Transport Information N/A Appearance colorless to white crystalline solid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 127-82-2 (ZINC PHENOLSULFONATE) Hazard Symbols N/A
Synonyms

Benzenesulfonicacid, p-hydroxy-, zinc salt (2:1) (8CI);Phenozin;Zinc p-phenolsulfonate;Zincphenolsulfonate;p-Hydroxybenzenesulfonic acid zinc salt;

 

Zinc bis(4-hydroxybenzenesulfonate) Consensus Reports

Reported in EPA TSCA Inventory.

Zinc bis(4-hydroxybenzenesulfonate) Specification

The Zinc p-hydroxybenzene-sulfonate, with its CAS registry number 127-82-2, has the IUPAC name of zinc 4-hydroxybenzenesulfonate. For being a kind of colorless to white crystalline solid, it is soluble in water, and its product categories are including Organic-metal Salt.

The characteristics of Zinc p-hydroxybenzene-sulfonate are as follows: (1)ACD/LogP: -1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.17; (4)ACD/LogD (pH 7.4): -5.2; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 71.98; (13)Exact Mass: 409.910855; (14)MonoIsotopic Mass: 409.910855; (15)Topological Polar Surface Area: 172; (16)Heavy Atom Count: 23; (17)Complexity: 194.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1O)S(=O)(=O)[O-].C1=CC(=CC=C1O)S(=O)(=O)[O-].[Zn+2]
(2)InChI: InChI=1S/2C6H6O4S.Zn/c2*7-5-1-3-6(4-2-5)11(8,9)10;/h2*1-4,7H,(H,8,9,10);/q;;+2/p-2
(3)InChIKey: ZNVKGUVDRSSWHV-UHFFFAOYSA-L 

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD skin > 3gm/kg (3000mg/kg)   Journal of the American College of Toxicology. Vol. 5(5), Pg. 373, 1986.
mouse LD50 intraperitoneal 172mg/kg (172mg/kg)   Journal of the American College of Toxicology. Vol. 5(5), Pg. 373, 1986.
mouse LD50 oral 3gm/kg (3000mg/kg)   Journal of the American College of Toxicology. Vol. 5(5), Pg. 373, 1986.
rat LC inhalation > 208gm/m3/1H (208000mg/m3)   Journal of the American College of Toxicology. Vol. 5(5), Pg. 373, 1986.
rat LD50 intraperitoneal 225mg/kg (225mg/kg)   Journal of the American College of Toxicology. Vol. 5(5), Pg. 373, 1986.
rat LD50 oral 1800mg/kg (1800mg/kg)   Journal of the American College of Toxicology. Vol. 5(5), Pg. 373, 1986.

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