CAS 4731-77-5 Dibutyltin dioctanoate (HCID 16683953)

基本情報

CAS: 4731-77-5
標準SMILES: CCCCCCCC(=O)[O][Sn]([CH2]CCC)([CH2]CCC)[O]C(=O)CCCCCCC
InChIKey: NBJODVYWAQLZOC-UHFFFAOYSA-L
分子式: C24H48O4Sn
平均分子量: 519.3 g/mol
単同位体質量: 520.25745472

名称と識別子

優先名称: Dibutyltin dioctanoate
IUPAC: [dibutyl(octanoyloxy)stannyl] octanoate

名称と別名

Dibutyltin dioctanoateDibutyltin dioctoateDibutyltin dicaprylate4731-77-5Dibutyltin octanoateBis(octanoyloxy)di-n-butylstannaneStannane, dibutylbis(octanoyloxy)-Q1MDG36L66Stannane, dibutylbis((1-oxooctyl)oxy)-Tin, bis(octanoyloxy)di-n-butyl-Kaprylan di-n-butylcinicity [Czech]EINECS 225-236-3

名称をさらに表示

Stannane, bis(octanoyloxy)di-n-butyl-Kaprylan di-n-butylcinicityUNII-Q1MDG36L66Stannane, dibutylbis[(1-oxooctyl)oxy]-DTXSID00872507TIN, DIBUTYLBIS(OCTANOYLOXY)-RefChem:132968DTXCID50820159

データベース識別子

CAS: 4731-77-5
PubChem CID: 16683953
DTXSID: DTXSID00872507
UNII: Q1MDG36L66
EC Number: 225-236-3

物性

構造計算による物性

極性表面積: 52.6 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 22
重原子数: 29
形式電荷: 0
複雑度: 374

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (94.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 18 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.