Tributyl(2-phenylethynyl)stannane

HCID 630640CAS 3757-88-8

基本情報

標準SMILES: CCC[CH2][Sn]([C]#Cc1ccccc1)([CH2]CCC)[CH2]CCC
InChIKey: PYMPTRMDPJYTDF-UHFFFAOYSA-N
分子式: C20H32Sn
平均分子量: 391.2 g/mol
単同位体質量: 392.15259572

名称と識別子

優先名称: Tributyl(2-phenylethynyl)stannane
IUPAC: tributyl(2-phenylethynyl)stannane
英語名: Phenylethynyltri-n-butyltin
分子式: C20H32Sn
分子量: 391.18

名称と別名

tributyl(2-phenylethynyl)stannaneRefChem:899101628-194-8Tributyl(phenylethynyl)tin3757-88-8Tributyl(phenylethynyl)stannanePhenylethynyltri-n-butyltinStannane, tributyl(phenylethynyl)-PHENYLETHYNYLTRI-N-BUTYLTIN;TRIBUTYL(PHENYLETHYNYL)TIN;(phenylethynyl)tributyltin;Tri-n-butyl(phenylethynyl)tin, 95%;Tributyl(phenylethynyl)tin 95%;tributyl(2-phenylethynyl)Stannane(phenylethynyl)tri-n-butyltintributylstannylphenyl-acetyleneSCHEMBL375615

名称をさらに表示

SKL1023(phenylethynyl)tributyltinTributyl(phenylethynyl)tin 95%Tri-n-butyl(phenylethynyl)tin, 95%Tributyl(phenylethynyl)tin - [T5595]PHENYLETHYNYLTRI-N-BUTYLTIN ISO 9001：2015 REACH

tributyl-phenylethynyl-stannaneDTXSID30348129Tributyl(phenylethynyl)stannane #Tributyl(phenylethynyl)tin, 95%tri-n-butyl-phenylethynyl-stannaneAKOS005216804GS-6562DA-42607

データベース識別子

CAS: 3757-88-8
PubChem CID: 630640
DTXSID: DTXSID30348129
EC Number: 628-194-8
Nikkaji: J329.524I

物性

構造計算による物性

極性表面積: 0 Å²
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: 11
重原子数: 21
形式電荷: 0
複雑度: 291

物理化学的性質

比重(密度): 1.116 g/mL · 1.116 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.532(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: -20 °C · Storage temp. -20°C
外見: liquid
比重: 1.116 · 1.116
InChI: 1S/C8H5.3C4H9.Sn/c1-2-8-6-4-3-5-7-8;3*1-3-4-2;/h3-7H;3*1,3-4H2,2H3;
InChIKey: PYMPTRMDPJYTDF-UHFFFAOYSA-N
SMILES: CCCC[Sn](CCCC)(CCCC)C#Cc1ccccc1

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P264+P265, P270, P273, P280, P301+P316, P302+P352, P305+P351+P338, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (100%)

安全データ

wgk: 3
tsca: No
ridadr: UN 2788 6.1/PG 3
risk_code: 21-25-36/38-48/23/25-50/53
hazard_code: T,N
safety_code: 35-36/37/39-45-60-61
hazard_class: 6.1(b)
packing_group: III
Hazard Classifications: Acute Tox. 3 OralAcute Tox. 4 DermalAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Repr. 1BSkin Irrit. 2STOT RE 1
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野 · 1 件

使用Tributyl(phenylethynyl)tin can be used:As a substrate in the palladium-catalyzed homocoupling oforganostannanes to yield biaryl compounds.To prepare various enynals, which are employed in the synthesis of substituted benzene derivatives catalyzed by nickel.In one of the key synthetic steps for the preparation of β-alkynylcorroles.