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| CAS No.: | 127-82-2 |
|---|---|
| Name: | ZINC PHENOLSULFONATE |
| Molecular Structure: | |
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| Formula: | C6H6O4S. 1/2Zn |
| Molecular Weight: | 413.73 |
| Synonyms: | Benzenesulfonicacid, p-hydroxy-, zinc salt (2:1) (8CI);Phenozin;Zinc p-phenolsulfonate;Zincphenolsulfonate;p-Hydroxybenzenesulfonic acid zinc salt; |
| EINECS: | 204-867-8 |
| Appearance: | colorless to white crystalline solid |
| PSA: | 171.62000 |
| LogP: | 2.75170 |
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Consensus Reports
Reported in EPA TSCA Inventory.
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. |