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ジブチルすずオキシド
ジブチルすずオキシド · ジブチルオキソすず(IV) · ジブチルオキソスタンナン · ジブチルすず(IV)オキシド · オキソジブチルスタンナン · ジブチルオキソスズ酸塩 · ジブチル錫オキサイド · 酸化ジブチルすず
識別子と物理属性
| CAS No. | 818-08-6 |
|---|---|
| 分子式 | C8H18OSn |
| 平均分子量 | 248.94 g/mol |
| 単同位体質量 | 250.0379599 g/mol |
| SMILES | CCC[CH2][Sn](=[O])[CH2]CCC |
| InChIKey | JGFBRKRYDCGYKD-UHFFFAOYSA-N |
| PubChem CID | 61221 |
| EC No. | 212-449-1 |
| DTXSID | DTXSID4027315 |
| 現地名 | ジブチルすずオキシド |
化学・物理的性質
| 極性表面積 | 17.1 |
|---|---|
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 6 |
| 重原子数 | 10 |
| 形式電荷 | 0 |
| 複雑度 | 81.3 |
| 物質分類 | Metals -> Tin Compounds, Organic |
| LogP（分配係数） | 5.33 (calculated) |
| 密度 | Relative density (water = 1): 1.51,5 g/cm3 |
| 溶解度 | Solubility in water, mg/l at 20 °C: 3.9-4.2 (very poor)Methanol (Very Slightly, Heated)4.0mg/L（20℃） |
| 沸点 | 161.9 °C>300°C |
| 融点 | 105 °C≥300 °C(lit.) |
| 蒸気圧 | Vapor pressure, Pa at 25 °C: 0.0000040Pa at 25℃ |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | Dry PowderLiquidWet SolidCBIWhite solid[Merck Index] White powder[Sigma-Aldrich MSDS]WHITE POWDER. |
| 自然発火温度 | 279 °C |
| 引火点 | 81-83°C |
| 貯蔵条件 | Store below +30°C. |
| 外観・状態 | 粉 |
| 比重 | 1.58 |
| 色 | 白い |
| BRN | 4126243 |
| InChI | 1S/2C4H9.O.Sn/c2*1-3-4-2/h2*1,3-4H2,2H3 |
| InChIKey | JGFBRKRYDCGYKD-UHFFFAOYSA-N |
| SMILES | CCCC[Sn](=O)CCCC |
| LogP（分配係数） | 5.33 at 20℃ |
| CAS データベース | 818-08-6(CAS DataBase Reference) |
| EPAの化学物質情報 | Stannane, dibutyloxo- (818-08-6) |
化学的特性
white fine powder
安全性と法規制
| GHS 分類 | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P203, P260, P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 0.8% (5 of 642) of reports.H301 (86.4%): Toxic if swallowed [Danger Acute toxicity, oral] |
|---|---|
| 規制情報 | Chemical: Stannane, dibutyloxo-Hazard Traits - Reproductive ToxicityStannane, dibutyloxo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Stannane, dibutyloxo- 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: 18-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14790Dibutyltin oxide: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | IMAP assessments - Stannane, dibutyloxo-: Human health tier II assessment |
| 火災危険 | Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Finely dispersed particles form explosive mixtures in air. |
| 有害性の概要 | Corrosive to eyes in rabbits, with corneal opacity and other effects not reversed within 7 days[EPA - TSCATS] Causes flaccid paralysis, general anesthesia, and somnolence in intraperitoneal lethal-dose studies of ratsCauses normocytic anemia in 26-week intermittent oral studies of rats[RTECS] A skin, eye, and respiratory tract irritantMay cause CNS effectsChronic exposure may cause liver injuryMay be toxic to reproduction or development, based on animal studies[ICSC] An irritant that may cause serious eye injuryMay cause skin sensitizationToxic by ingestionProlonged or repeated exposure may cause thymus injurySuspected mutagen and teratogen (oropharyngeal malformations)[ECHA REACH Registrations] A mild skin irritantMay cause serious eye injuryHighly toxic by ingestionProlonged or repeated exposure may cause organ injuryTeratogenicity observed in rats[Sigma-Aldrich MSDS] See Tin, organic compounds. |
| EC 分類 | Symbol: T, NR: 21-25-36/38-48/23/25-50/53S: (1/2)-35-36/37/39-45-60-61Note: A, 1 |
| UN 分類 | UN Hazard Class: 6.1 |
| Chemical Dangers | Decomposes on heating. This produces toxic fumes of tin and tin oxides. Reacts under certain circumstances with oxidants and bases. |
| Physical Dangers | Dust explosion possible if in powder or granular form, mixed with air. If dry, it can be charged electrostatically by swirling, pneumatic transport, pouring, etc. |
| Packaging and Labelling | Unbreakable packaging. Put breakable packaging into closed unbreakable container. Do not transport with food and feedstuffs. |
| Hazard Classes and Categories | Acute Tox. 3 (86.4%)Acute toxicity (ingestion) - category 3Acute toxicity (Oral) - Category 2Hazardous to the aquatic environment (Acute) - Category 2Acute toxicity (Oral) - Category 3Muta. 2 |
| 消火 | Use water spray, powder, carbon dioxide. |
| 応急処置措置 | Fresh air, rest. Refer for medical attention.Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention .First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Give a slurry of activated charcoal in water to drink. Refer for medical attention . |
| 安全保管 | Cool. Separated from food and feedstuffs, oxidants and bases. Provision to contain effluent from fire extinguishing. |
| 暴露管理・個人防護 | 0.02 [mg/m3], inhalable fraction, as Sn[German Research Foundation (DFG)] |
| 漏出処分 | Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations. |
| Eye Prevention | Wear face shield or eye protection in combination with breathing protection. |
| Fire Prevention | NO open flames. Closed system, dust explosion-proof electrical equipment and lighting. Prevent deposition of dust. Prevent build-up of electrostatic charges (e.g., by grounding). |
| Inhalation Risk | A harmful concentration of airborne particles can be reached quickly when dispersed. |
| Skin Prevention | Protective gloves. |
| Exposure Prevention | AVOID ALL CONTACT! IN ALL CASES CONSULT A DOCTOR! |
| Ingestion Prevention | Do not eat, drink, or smoke during work. Wash hands before eating. |
| Inhalation Prevention | Use local exhaust or breathing protection. |
| 健康影響 | Breathing 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) |
| 有害作用 | Neurotoxin - Other CNS neurotoxin |
| 暴露経路 | The substance can be absorbed into the body by inhalation and by ingestion.Oral (L308)inhalation (L308)dermal (L308) |
| 毒性の概要 | 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 Symptoms | Headache. Confusion.Redness. Pain. Further see Inhalation.Inorganic or organic tin compounds placed on the skin or in the eyes can produce skin and eye irritation. (L308) |
| ICSC Environmental Data | The substance is very toxic to aquatic organisms. The substance may cause long-term effects in the aquatic environment. This substance does enter the environment under normal use. Great care, however, should be taken to avoid any additional release, for example through inappropriate disposal. |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | WH7175000 |
| 輸送番号（UN） | UN 3146 6.1/PG 2 |
| 毒性 | LD50 orally in Rabbit: 487 mg/kg LD50 dermal Rabbit > 2000 mg/kg |
| PRTR法 | 1-239 |
| 税関コード | 29310095 |
| 危険文句（R） | 25-68-50/53-48/25-43-41-38-61-60 |
| 安衛法 | 57,57-2 |
| 危険表示 | T,N |
| 安全措置（S） | 36/37/39-45-24/25-61-60-29-26-53 |
| 危険等級 | 6.1Acute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Muta. 2Repr. 1BSkin Irrit. 2Skin Sens. 1STOT RE 1STOT SE 1 |
| 包装等級 | II |
| 自然発火温度 | 525 °C |
| 環境リスク評価 | ジブチルスズオキシド（DBTO） (818-08-6) |
| 貯蔵分類 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
用途
使用
Dibutyltin oxide is used in studies pertaining to discovering novel antitumor agents. Antifungal activity.
製法・合成法
純化方法
It is prepared by hydrolysis of di-n-butyltin dichloride with KOH. Hence wash it with a little aqueous M KOH, then H2O and dry at ~80o/10mm until the IR is free from OH bands. [Cummings Aust J Chem 18 98 1965, Beilstein 4 I 588.]