ジオクチルジクロロスタンナン

Dioctyltin dichloride

HCID 77080CAS 3542-36-7

基本情報

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

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 · 2 件

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

安全と法規制

GHS分類

GHS Classification · 6 件

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 · 4 件

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 · 1 件

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 · 4 件

Acute Tox. 2 (77.3%)

Acute toxicity (inhalation) - category 2

Acute toxicity (Inhalation: Dusts and mists) - Category 2

Repr. 1B

安全と保護具

Exposure Control and Personal Protection0.1 [mg/m3], inhalable fraction, as Sn[German Research Foundation (DFG)]
Threshold Limit Values (TLV) · 2 件

0.1 [mg/m3], as Sn

0.2 [mg/m3], as Sn

Permissible Exposure Limit (PEL)0.1 [mg/m3], as Sn
Immediately Dangerous to Life or Health (IDLH)25.0 [mg/m3], as Sn

毒性情報

Health EffectsBreathing or swallowing, or skin contact with organotins, can interfere with the way the brain and nervous system work, causing death in severe cases. Organic tin compounds may also damage the immune and reproductive system. (L307, L308)
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Exposure RoutesOral (L308) ; inhalation (L308) ; dermal (L308)
Toxicity Summary · 1 件

Organotin compounds produce neurotoxic and immunotoxic effects. Organotins may directly activate glial cells contributing to neuronal cell degeneration by local release of pro-inflammatory cytokines, tumor necrosis factor-_, and/or interleukins. They may also induce apoptosis by direct action on neuronal cells. Organotin compounds stimulate the neuronal release of and/or decrease of neuronal cell uptake of neurotransmitters in brain tissue, including aspartate, GABA, glutamate, norepinephrine, and serotonin. This may be either a contributing factor to or result of the neuronal cell loss. The immunotoxic effects of organotins are characterized by thymic atrophy caused by the suppression of proliferation of immature thymocytes and apoptosis of mature thymocytes. Organotin compounds are believed to exert these effects by suppressing DNA and protein synthesis, inducing the expression of genes involved in apoptosis (such as nur77), and disrupting the regulation of intracellular calcium levels, giving rise to the uncontrolled production of reactive oxygen species, release of cytochrome c to the cytosol, and the proteolytic and nucleolytic cascade of apoptosis. The suppression of proliferation of immature thymocytes further results in the suppression of T-cell-mediated immune responses. Organotins are also endocrine disruptors and are believed to contribute to obesity by inappropriate receptor activation, leading to adipocyte differentiation. Inorganic tin triggers eryptosis, contributing to tin-induced anemia. (L308, A182, A184)

Signs and SymptomsInorganic or organic tin compounds placed on the skin or in the eyes can produce skin and eye irritation. (L308)
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

安全データ

tsca
TSCA listed
ridadr
3146
PRTR法
1-239
hs_code
29319090
risk_code
36/37/38-48/20/22
safety_code
26-35-36/37/39

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

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 · 1 件

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 · 2 件

All Other Chemical Product and Preparation Manufacturing

Stannane, dichlorodioctyl-: ACTIVE

応用分野 · 1 件

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.

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関連反応

5 件

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