基本情報
- CAS
3590-84-9- 標準SMILES
CCCCCCC[CH2][Sn]([CH2]CCCCCCC)([CH2]CCCCCCC)[CH2]CCCCCCC- InChIKey
JTGNPNLBCGBCMP-UHFFFAOYSA-N- 分子式
- C32H68Sn
- 平均分子量
- 571.6 g/mol
- 単同位体質量
- 572.434305
概要
Tetra-n-octylstannane 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
- Tetraoctyltin
- IUPAC
- tetraoctylstannane
- 現地名
- テトラオクチルスタンナン
- 英語名
- Tetraoctyltin
- 分子式
- C32H68Sn
- 分子量
- 571.59
名称と別名
TetraoctyltinTetraoctylstannaneStannane, tetraoctyl-Tetra-n-octylstannaneTin, tetraoctyl-EINECS 222-733-7UNII-6EWL1E4B0V6EWL1E4B0VNSC 65527BRN 3907209NSC-65527DTXSID3027538
名称をさらに表示
テトラオクチルスタンナンテトラオクチルすず(IV)テトラオクチルスズテトラオクチル錫テトラ-n-オクチルスズSKL1136TETRAOCTYLtetraoctyl-tiTIN TETRAOCTYLTetraoctylzinnTetraoctyltin(IV)etraoctylstannanetetraoctyl-stannan
EC 222-733-74-04-00-04314 (Beilstein Handbook Reference)RefChem:188825DTXCID807538222-733-7JTGNPNLBCGBCMP-UHFFFAOYSA-N3590-84-9Tetra-n-octyltin
データベース識別子
- CAS
3590-84-9- PubChem CID
- 77145
- DTXSID
DTXSID3027538- UNII
- 6EWL1E4B0V
- EC Number
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
- 28
- 重原子数
- 33
- 形式電荷
- 0
- 複雑度
- 281
実験および物理化学的性質
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionLiquid
物理化学的性質
- 沸点
- 224 °C · 224°C 1mm
- 比重(密度)
- 0 · 0,98 g/cm3
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 屈折率
- 1.4677 · 1.4677
- 闪点
- 102 °C · 102°C
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- クロロホルム（可溶）、酢酸エチル（少量）
- 外見
- 油
- 色
- オフホワイトからイエロー、シック
- 比重
- 0.961 · 0.961
- InChI
- 1S/4C8H17.Sn/c4*1-3-5-7-8-6-4-2;/h4*1,3-8H2,2H3;
- InChIKey
- JTGNPNLBCGBCMP-UHFFFAOYSA-N
- SMILES
- [Sn](CCCCCCCC)(CCCCCCCC)(CCCCCCCC)CCCCCCCC
- LogP
- 9.09 at · 9.09 at 22.3℃
- CAS データベース
- 3590 · 3590-84-9(CAS DataBase Reference)
- EPAの化学物質情報
- Stannane, tetraoctyl- (3590-84-9)
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
Warning
H315 (64.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P308+P316, P318, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 28 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Stannane, tetraoctyl-
Stannane, tetraoctyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Stannane, tetraoctyl- 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)
REACH registered substance: Tetraoctyltin (EC: 222-733-7)
Stannane, tetraoctyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Stannane, tetraoctyl-: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (64.3%)
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)
Exposure RoutesOral (L308) ; inhalation (L308) ; dermal (L308)
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
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, tetraoctyl-: ACTIVE
応用分野
使用Tetraoctyltin was coupled to C-H bonds of 2-aryl- and 2-benzyl-substituted 4,4-dimethyl-2-oxazolines and pyridines to give the benzene ring-alkylated products in good yields by using 5 mol % Pd(OAc)2 as the catalyst.
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