ジオクチルジクロロスタンナン
Dioctyltin dichloride
基本情報
- CAS
3542-36-7- 標準SMILES
CCCCCCC[CH2][Sn]([Cl])([Cl])[CH2]CCCCCCC- InChIKey
SBOSGIJGEHWBKV-UHFFFAOYSA-L- 分子式
- C16H34Cl2Sn
- 平均分子量
- 416.1 g/mol
- 単同位体質量
- 416.10595115
概要
Di-n-octyltin dichloride is an organotin compound. Tin is a chemical element with the symbol Sn and atomic number 50. It is a natural component of the earth's crust and is obtained chiefly from the mineral cassiterite, where it occurs as tin dioxide. (L307, L309)
名称と識別子
- 優先名称
- Dioctyltin dichloride
- IUPAC
- dichloro(dioctyl)stannane
- 現地名
- ジオクチルジクロロスタンナン
- 英語名
- DI-N-OCTYLTIN DICHLORIDE
- 分子式
- C16H34Cl2Sn
- 分子量
- 416.06
名称と別名
3542-36-7DichlorodioctyltinDi-n-octyltin dichlorideDioctyltin dichlorideStannane, dichlorodioctyl-DichlorodioctylstannaneDOTCDi-n-octyltindichlorideDioctylstannium dichlorideTZ52I3CR3QDIOCTYLDICHLOROTINNSC-102574
名称をさらに表示
ジオクチルすず(IV)ジクロリドジクロロジオクチルすず(IV)ジクロロジオクチルスタンナンジオクチルすずジクロリド二塩化ジオクチルすずジオクチルジクロロすず(IV)ジオクチルジクロロスタンナンジオクチル錫ジクロライド二塩化ジオクチルチンジクロロジオクチルスズ二塩化ジ‐N‐オクチルすず標準品二塩化ジ-N-オクチルすずジ-N-オクチルジクロロすず二塩化ジ-ｎ-オクチルすず標準品dichlorodioctyl-stannanDiocyldichlorotinDIOCTYLTINCHLORIDEDioctylzinndichloriddioctyl-tidichloridedioctyltindichloride
RefChem:586055222-583-2Di-n-OctyldichlorotinDichloro(dioctyl)stannaneStannane, dioctyldichloro-Di-n-octyl-zinn dichloridTin, dioctyl-, dichlorideDi-n-Octyltin-dichloride
データベース識別子
- CAS
3542-36-7- PubChem CID
- 77080
- DTXSID
DTXSID2029662- UNII
- TZ52I3CR3Q
- EC Number
- 222-583-2
物性
構造計算による物性
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 14
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 166
実験および物理化学的性質
Chemical ClassesMetals -> Tin Compounds, Organic
Vapor Pressure0.0000039 [mmHg]
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Liquid; Liquid; Other Solid
White solid; [OECD SIDS] Crystalline solid; [Alfa Aesar MSDS]
物理化学的性質
- 融点
- 46 · 46-48°C
- 沸点
- 175 °C · 175°C 1mm
- 比重(密度)
- 1 · 1,175 g/cm3
- 蒸気圧
- 0.001 Pa · 0.001Pa at 25℃
- 闪点
- 204 °C · 204°C
- 外見
- 個体
- 比重
- 1.17 · 1.17
- 水溶解度
- 水に不溶。
- CAS データベース
- 3542 · 3542-36-7(CAS DataBase Reference)
- EPAの化学物質情報
- Stannane, dichlorodioctyl- (3542-36-7)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H330: Fatal if inhaled [Danger Acute toxicity, inhalation]
P203, P260, P264, P270, P271, P273, P280, P284, P304+P340, P316, P318, P319, P320, P403+P233, P405, and P501 (click each P-code to see the statement)
Danger
H314 (18.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P203, P260, P264, P270, P271, P273, P280, P284, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P319, P320, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: Stannane, dichlorodioctyl-
Hazard Traits - Reproductive Toxicity
Stannane, dichlorodioctyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Stannane, dichlorodioctyl- 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: 19-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/14165
Other Safety InformationIMAP assessments - Stannane, dichlorodioctyl-: Human health tier II assessment
Hazards Summary
The thioglycolate ester isomers are dioctyltin bis(2-ethylhexyl thioglycolate) CAS# 15571-58-1 and dioctyltin bis(isooctyl thioglycolate) CAS# 26401-97-8; [OECD SIDS] An irritant; Toxic by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS] See Tin, organic compounds. See Trichlorooctylstannane.
Hazard Classes and Categories
Acute Tox. 2 (77.3%)
Acute toxicity (inhalation) - category 2
Acute toxicity (Inhalation: Dusts and mists) - Category 2
Repr. 1B
化学と産業
薬理情報
Metabolism/Metabolites
Though tin metal is very poorly absorbed, tin compounds may be absorbed via oral, inhalation, or dermal routes, with organotin compounds being much more readily absorbed than inorganic tin compounds. Tin may enter the bloodstream and bind to hemoglobin, where it is distributed and accumulates mainly in the kidney, liver, lung, and bone. Organotin compounds may undergo dealkylation, hydroxylation, dearylation, and oxidation catalyzed by cytochrome P-450 enzymes in the liver. The alkyl products of dealkylation are conjugated with glutathione and further metabolized to mercapturic acid derivatives. Tin and its metabolites are excreted mainly in the urine and feces. (L308)
用途と製造
Uses
Always produced as a mixture with monooctyltin trichloride (MOTC, CAS# 3091-25-6); Used as a heat stabilizer for polyvinyl chloride (PVC) and chlorinated PVC (CPVC) with applications including films (including indirect food contact), sheets, injection mouldings, pipes, and sidings; [OECD SIDS]
U.S. Production2023: 1,000,000 - <8,500,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesIntermediate
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Stannane, dichlorodioctyl-: ACTIVE
応用分野
使用Di-n-octyldichlorotin compounds are used as intermediates in the production of other organotin chemicals. Metatin and Acima. These products are also used as catalysts or industrial intermediates in the production of polyurethanes, silicone resins, synthetic lubricants, and MS polymer sealants.
関連反応
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化合物ノート
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