1-メチル-5-(トリブチルスタンニル)-1H-ピラゾール

1-Methyl-5-(tributylstannyl)-1H-pyrazole

HCID 21867455

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 170682-50-5
標準SMILES: CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1ccnn1C
InChIKey: MEFBHJAGBFBLEH-UHFFFAOYSA-N
分子式: C16H32N2Sn
平均分子量: 371.1 g/mol
単同位体質量: 372.15874372

名称と識別子

優先名称: 1-Methyl-5-(tributylstannyl)-1H-pyrazole
IUPAC: tributyl-(2-methylpyrazol-3-yl)stannane
現地名: 1-メチル-5-(トリブチルスタンニル)-1H-ピラゾール
英語名: (1-Methyl-1H-pyrazol-5-yl)tributylstannane
分子式: C16H32N2Sn
分子量: 371.15

名称と別名

1-Methyl-5-(tributylstannyl)-1H-pyrazole170682-50-5DTXSID80619098RefChem:231928DTXCID30569852tributyl-(2-methylpyrazol-3-yl)stannane1H-Pyrazole, 1-methyl-5-(tributylstannyl)-(2-methyl-2H-pyrazol-3-yl)-tri-n-butyltinSCHEMBL1095862MEFBHJAGBFBLEH-UHFFFAOYSA-N1-methyl-5-tributylstannanyl-1H-pyrazoleFM168081

名称をさらに表示

1-メチル-5-(トリブチルスタンニル)-1H-ピラゾール(1-Methyl-1H-pyrazol-5-yl)tributylstannane1-Methyl-5-(tributylstannyl)-1H-pyrazole 97%1-Methyl-5-(tributylstannyl)-1H-pyrazole - [M69898]1-methyl-5-(tributylmethylalkaneyl)-1H-pyridineazole

DB-216170F301511-Methyl-5-(tributylstannyl)-1H-pyrazole, 97%

データベース識別子

CAS: 170682-50-5
PubChem CID: 21867455
DTXSID: DTXSID80619098
EC Number: 688-548-2
Nikkaji: J872.439C

物性

構造計算による物性

極性表面積: 17.8 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: 19
形式電荷: 0
複雑度: 211

物理化学的性質

沸点: 382.8 · 382.8±34.0 °C(Predicted)
比重(密度): 1.16 g/mL · 1.160 g/mL at 25 °C
闪点: 110 ℃ · >110℃
酸解離定数(Pka): 2.27 · 2.27±0.10(Predicted)
外見: liquid
InChI: 1S/C4H5N2.3C4H9.Sn/c1-6-4-2-3-5-6;3*1-3-4-2;/h2-3H,1H3;3*1,3-4H2,2H3;
InChIKey: MEFBHJAGBFBLEH-UHFFFAOYSA-N
SMILES: CCCC[Sn](CCCC)(CCCC)c1ccnn1C

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 / PGIII
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 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