ピリチオンナトリウム

Pyrithione Sodium

HCID 23685289

ノート反応

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基本情報

CAS: 15922-78-8
標準SMILES: [Na+].[O-]n1ccccc1=S
InChIKey: XNRNJIIJLOFJEK-UHFFFAOYSA-N
分子式: C5H4NNaOS
平均分子量: 149.15 g/mol
単同位体質量: 148.99112903

概要

2-Mercaptopyridine N-oxide sodium salt is a dihydropyridine.

名称と識別子

優先名称: Pyrithione Sodium
IUPAC: sodium 1-oxidopyridine-2-thione
現地名: ピリチオンナトリウム
英語名: pyrithione sodium
分子式: C5H5NOS.Na
分子量: 0

名称と別名

Sodium pyrithionePYRITHIONE SODIUMSodium Omadine15922-78-8Omacide 24Sodium 2-pyridinethiol-1-oxide2(1H)-Pyridinethione, 1-hydroxy-, sodium saltAL02725DTXSID6034920NSC-4483RefChem:177802DTXCID4014920

名称をさらに表示

1-(ソジオオキシ)-1,2-ジヒドロピリジン-2-チオン1-(ソジオオキシ)ピリジン-2(1H)-チオンオマシド24オマジンナトリウム1-ソジオオキシ-2(1H)-ピリジンチオン2-ピリジンチオル-1-オキシドナトリウムナトリウム2-チオキソ-1,2-ジヒドロピリジン-1-オラートピリチオンナトリウムSQ-3277Slaoff 28Omadine sodiumOmadine sodium saltSodium pyridinethioneXNRNJIIJLOFJEK-UHFFFAOYSA-N1-Sodiooxy-2(1H)-pyridinethionePyridin-2-thiol-1-oxid, sodium saltspyrithione sodium ISO 9001：2015 REACH

240-062-86L3991491RAL-02725Pyrithione sodium saltTomicide sTopcide 2803811-73-2sodium;1-oxidopyridine-2-thione

データベース識別子

CAS: 15922-78-8、3811-73-2
PubChem CID: 23685289
DTXSID: DTXSID6034920
ChEMBL: CHEMBL2364542
ChEBI: CHEBI:201738
EC Number: 223-296-5、240-062-8
Nikkaji: J66.622J

物性

構造計算による物性

極性表面積: 58.4 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 166

実験および物理化学的性質

Chemical ClassesOther Uses -> Biocides/Disinfectants

Vapor Pressure0.00000007 [mmHg]

Food Contact Substances · 3 件

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

Physical Description · 2 件

CBI

Technical product is off-white solid; Formulated as liquid soluble concentrates; [Reference #1] 3811-73-2: Hygroscopic crystalline powder with a stench; [Alfa Aesar MSDS]

物理化学的性質

化粧品成分の機能: 防腐剤
EPAの化学物質情報: Pyrithione sodium (15922-78-8)

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 0.5% (5 of 962) of reports.

Danger

H302+H312+H332 (45.9%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

危険有害性情報

Regulatory Information · 5 件

Chemical: 2-Pyridinethiol, 1-oxide, sodium salt

2-Pyridinethiol, 1-oxide, sodium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Pyridinethiol, 1-oxide, sodium salt (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 28-04-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/20845

2(1H)-Pyridinethione, 1-hydroxy-, sodium salt: Does not have an individual approval but may be used under an appropriate group standard

Sodium pyrithione: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - 2-Pyridinethiol, 1-oxide, sodium salt: Human health tier II assessment

Hazards Summary · 1 件

A mixture of two tautomers: 1-hydroxy-2(1H)-pyridinethione, sodium salt (15922-78-8) and 2-pyridinethio-1-oxide, sodium salt (3811-73-2); Not a skin sensitizer in guinea pig or human studies; Minimum to marked hind-limb atrophy observed in 13-week gavage study of rats at highest tested dose of 8 mg/kg/day (LOEL of 2 mg/kg/day based on evidence of neurotoxicity); [Reference #1] 3811-73-2: A skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS]

Hazard Classes and Categories · 5 件

Acute Tox. 4 (99.4%)

Acute Tox. 4 (50%)

Acute toxicity (ingestion) - category 4

Acute toxicity (Oral) - Category 4

Acute Tox. 3

安全と保護具

Exposure Control and Personal Protection0.2 [mg/m3], inhalable fraction[German Research Foundation (DFG)]

毒性情報

Adverse EffectsNeurotoxin - Other CNS neurotoxin

Toxicity DataLC50 (rat) = 1,080 mg/m3/4hr

化学と産業

薬理情報

MeSH Pharmacological ClassificationSubstances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.

用途と製造

Uses · 2 件

Used as biocide (controls slime forming bacteria and fungi) in aqueous functional fluids (metalworking, cutting, cooling, and lubricating), latex emulsions (adhesives, caulks, patching compounds, sealants, pastes, and grouts), aqueous fiber lubricants and inks, jet-printer inks, laundry rinse additives and detergents, carpet cleaners, analytical and diagnostic reagents; Also used as in-can preservative for water based mixtures used in making concrete (not covered in this RED); [Reference #1]

Metal Machining [Category: Heat or Machine]

U.S. Production2023: <50,000 lb

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesSoil amendments (fertilizers)

Household ProductsInformation on 2 consumer products that contain Sodium pyrithione in the following categories is provided:

General Manufacturing Information · 2 件

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

2-Pyridinethiol, 1-oxide, sodium salt (1:1): ACTIVE