(1-プロピニル)トリブチルスタンナン

Tributyl(prop-1-yn-1-yl)stannane

HCID 2733165

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 64099-82-7
標準SMILES: CC#[C][Sn]([CH2]CCC)([CH2]CCC)[CH2]CCC
InChIKey: KCQJLTOSSVXOCC-UHFFFAOYSA-N
分子式: C15H30Sn
平均分子量: 329.11 g/mol
単同位体質量: 330.13694566

名称と識別子

優先名称: Tributyl(prop-1-yn-1-yl)stannane
IUPAC: tributyl(prop-1-ynyl)stannane
現地名: (1-プロピニル)トリブチルスタンナン
英語名: Tributylpropynylstannane
分子式: C15H30Sn
分子量: 329.11

名称と別名

tributyl(prop-1-yn-1-yl)stannaneRefChem:899113626-507-264099-82-7Tributyl(1-propynyl)tintributyl(prop-1-ynyl)stannane(1-Propynyl)tributylstannaneTRIBUTYLPROPYNYLSTANNANETributyl-1-propynyltinC15H30SnMFCD01863650propynyltributyltin;

名称をさらに表示

(1-プロピニル)トリブチルスタンナントリブチル(1-プロピニル)スタンナン1-プロピニルトリブチルスタンナン1-(トリブチルスタンニル)-1-プロピントリブチルプロピニルすず1-プロピニルトリ-N-ブチルすずトリブチル(1-プロピニル)スズ1-プロピニルトリ-n-ブチルすず, 96%SKL972tech.80%PROPYNYLTRI-N-BUTYLTIN1-PROPYNYLTRI-N-BUTYLTINTributyl-1-propyn-1-yltintributylpropyltin alkanesTributyl(1-propynyl)tin 95%

Stannane, tributyl-1-propynyl-CH3CCSnBu31-Propynyltributylstannanetributyl(1-propynyl)tin;tributyl(1-propynyl)stannane(1-propynyl)tri-n-butyltin;tributyl(1-propynyl)stannane;Tributyl-prop-1-ynyl-stannane

データベース識別子

CAS: 64099-82-7
PubChem CID: 2733165
DTXSID: DTXSID10369776
EC Number: 626-507-2
Nikkaji: J329.521D

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: 10
重原子数: 16
形式電荷: 0
複雑度: 196

物理化学的性質

沸点: 277 °C · 277 °C (lit.)
比重(密度): 1.082 g/mL · 1.082 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.483(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: liquid
比重: 1.082 · 1.082
色: Colourless
InChI: InChI=1S/3C4H9.C3H3.Sn/c3*1-3-4-2;1-3-2;/h3*1,3-4H2,2H3;1H3;
InChIKey: KCQJLTOSSVXOCC-UHFFFAOYSA-N
SMILES: [Sn](CCCC)(CCCC)(CCCC)C#CC

化学的性質

化学的特性clear colourless liquid

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, 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 46 reports by companies from 6 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
hs_code: 29319090
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
packing_group: II
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(1-propynyl)tin can be used:As a starting material in the synthesis of phenyl-substituted pyrimidine-dione by reacting with ethyl isocyanate via cycloaddition and Stille coupling reactions.In the synthesis of 18F labeled triazolo quinoline derivative, a positron emission tomography (PET) ligand used in the in vivo imaging of metabotropic glutamate receptor type 1.In one of the key synthetic steps for the synthesis of 4-(1-aryltriazol-4-yl)-tetrahydropyridines as potent mGluR1 antagonists.