(1-Benzothiophen-2-yl)tributylstannane

HCID 2735461

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 148961-88-0
標準SMILES: CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cc2ccccc2s1
InChIKey: UJPVMOUQRNYNSA-UHFFFAOYSA-N
分子式: C20H32SSn
平均分子量: 423.2 g/mol
単同位体質量: 424.12466672

名称と識別子

優先名称: (1-Benzothiophen-2-yl)tributylstannane
IUPAC: 1-benzothiophen-2-yl(tributyl)stannane
英語名: 2-Tributylstannylbenzo[b]thiophene
分子式: C20H32SSn
分子量: 423.24

名称と別名

(1-benzothiophen-2-yl)tributylstannaneRefChem:392027683-415-5148961-88-02-Tributylstannylbenzo[b]thiopheneBenzo[b]thiophen-2-yltributylstannane1-benzothiophen-2-yl(tributyl)stannaneStannane, benzo[b]thien-2-yltributyl-(BENZO[B]THIOPHEN-2-YL)TRIBUTYLSTANNANE;BENZO[B]THIEN-2-YLTRIBUTYL-STANNANE;BENZOTHIOPHENE-2-TRIBUTYLSTANNANE;2-TRIBUTYLSTANNYLBENZO[B]THIOPHENE;2-(Tri-n-butylstannyl)benzo[b]thiophene, 95%;2-TRI-n-BUTYLSTANNYLBENZOTHIOPHENE2-benzothienyl tributyltinSCHEMBL6593302-(Tributylstannyl)benzothiophene

名称をさらに表示

SKL1018BENZOTHIOPHENE-2-TRIBUTYLSTANNANE2-Tributylstannylbenzo[b<2-tributylbenzenebenzo[B]thiophene2-TRI-n-BUTYLSTANNYLBENZOTHIOPHENEBENZO[B]THIEN-2-YLTRIBUTYL-STANNANE(BENZO[B]THIOPHEN-2-YL)TRIBUTYLSTANNANE

DTXSID80370738UJPVMOUQRNYNSA-UHFFFAOYSA-N1-benzothien-2-yl(tributyl)stannane(benzo[b]thiophen-2-yl)-tributyltinAKOS000278993GS-6468(benzo[b] -thiophen-2-yl)-tributyltin2-(tri-n-butylstannyl)benzo[b]thiophene

データベース識別子

CAS: 148961-88-0
PubChem CID: 2735461
DTXSID: DTXSID80370738
EC Number: 683-415-5
Nikkaji: J540.304I

物性

構造計算による物性

極性表面積: 28.2 Å²
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: 10
重原子数: 22
形式電荷: 0
複雑度: 282

物理化学的性質

沸点: 440.1 · 440.1±37.0 °C(Predicted)
比重(密度): 1.184 g/mL · 1.184 g/mL at 25 °C
屈折率: 20 · n20/D 1.5637
貯蔵温度: 2 · 2-8°C
外見: liquid
InChI: 1S/C8H5S.3C4H9.Sn/c1-2-4-8-7(3-1)5-6-9-8;3*1-3-4-2;/h1-5H;3*1,3-4H2,2H3;
InChIKey: UJPVMOUQRNYNSA-UHFFFAOYSA-N
SMILES: CCCC[Sn](CCCC)(CCCC)c1cc2ccccc2s1

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 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
ridadr: UN 2788 6.1/PG 3
hs_code: 29349990
risk_code: 21-25-36/38-48/23/25-50/53
hazard_code: Xi,T,N
safety_code: 35-36/37/39-45-60-61
hazard_class: IRRITANT, KEEP COLD, TOXIC
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