基本情報
- CAS
813-19-4- 標準SMILES
CCC[CH2][Sn]([CH2]CCC)[CH2]CCC.CCC[CH2][Sn]([CH2]CCC)[CH2]CCC- InChIKey
REDSKZBUUUQMSK-UHFFFAOYSA-N- 分子式
- C24H54Sn2
- 平均分子量
- 580.1 g/mol
- 単同位体質量
- 582.22696
名称と識別子
- 優先名称
- Hexabutyldistannane
- 現地名
- ビス(トリブチルスズ)
- 英語名
- Hexabutylditin
- 分子式
- C24H54Sn2
- 分子量
- 580.11
名称と別名
HexabutyldistannaneBis(tributyltin)Distannane, hexabutyl-Tin, hexabutyldi-Stannane, hexabutyldi-NSC 92633NSC 65520NSC 227367EINECS 212-383-3DTXSID70231041HexanbutylditinTin, hexabutyldi
名称をさらに表示
ビス(トリブチルスズ)ヘキサブチルジスタンナン1,1,1,2,2,2-ヘキサブチルジスタンナンヘキサｎブチルジヘキサブチル二すずヘキサ-N-ブチル二すずヘキサ-n-ブチル二すず, 98%HEXA-N-BUTYLDITINBIS(TRI-N-BUTYLTIN)ditinHEXA-N-BUTYLDISTANNANEHexa-n-butyLHexa-n-butyldizinn1,1,1,2,2,2-Hexabutyl-distannaneSKL1146
Stannane, hexabutyldiRefChem:785903Distannane, hexabutyl (8CI)Distannane, hexabutyl-(8CI)DTXCID70153532Distannane, hexabutyl (8CI)(9CI)Distannane, hexabutyl-(8CI)(9CI)212-383-3
データベース識別子
- CAS
813-19-4- PubChem CID
- 6327815
- UNII
- 4Z9Y3T58UD
- EC Number
- 212-383-3
- Nikkaji
- J193.193H
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
- 18
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 168
実験および物理化学的性質
Physical DescriptionLiquid; [Alfa Aesar MSDS]
物理化学的性質
- 沸点
- 197 · 197-198 °C (10 mmHg)
- 比重(密度)
- 1.148 g/mL · 1.148 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.512(lit.)
- 闪点
- 124 °C · 124°C
- 貯蔵温度
- 2 · Inert atmosphere,2-8°C
- 溶解性
- メタノール（わずかに）
- 外見
- 液体
- 比重
- 1.148 · 1.148
- 色
- 無色～黄色
- 水溶解度
- 水と混和しない。
- BRN
- 3605476 · 3605476
- InChI
- InChI=1S/6C4H9.2Sn/c6*1-3-4-2;;/h6*1,3-4H2,2H3;;
- InChIKey
- REDSKZBUUUQMSK-UHFFFAOYSA-N
- SMILES
- [Sn](CCCC)(CCCC)(CCCC)[Sn](CCCC)(CCCC)CCCC
- CAS データベース
- 813 · 813-19-4(CAS DataBase Reference)
化学的性質
Clear colorless to slightly yellow liquid
安全と法規制
GHS分類
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H372 (100%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]；H400 (93.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (98%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P260, P264, P264+P265, P270, P273, P280, P301+P316, P302+P352, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory InformationHexabutylditin: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Distannane, hexabutyl-: Human health tier I assessment；IMAP assessments - Distannane, hexabutyl-: Environment tier I assessment
Hazards SummaryA skin and strong eye irritant; Toxic by ingestion; Harmful by skin absorption; Prolonged or repeated exposure may cause organ injury; [Alfa Aesar MSDS] See Tributylmethyltin and Tetramethyltin. See Tin, organic compounds.
Hazard Classes and Categories
化学と産業
応用分野
説明As a source of tributylstannyl radicals,Hexabutylditin is used in palladium-catalyzed tin-carbon bond formation, deoxygenation and desulfurization reactions.
使用Hexabutylditin (CAS# 813-19-4) is a building block used to synthesize stannylation of aryl halides, or to prepare functionalized arylstannates via Pd-catalyzed cross-coupling reactions.
調製方法
純化方法Purify it by distilling it in a vacuum and store it in the dark. [Shirai et al. Yakugaku Zasshi 90 59 1970, Chem Abstr 72 90593 1970, Beilstein 4 I 590.]
上流・下流製品情報
上流原料
下流製品
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