CAS 130995-44-7 2-(8-Bromooctyl)-1,3-dioxolane (HCID 11832318)

部分構造検索類似構造を探す

基本情報

CAS: 130995-44-7
標準SMILES: BrCCCCCCCCC1OCCO1
InChIKey: WJIZUNSRMNMEPR-UHFFFAOYSA-N
分子式: C11H21BrO2
平均分子量: 265.19 g/mol
単同位体質量: 264.07249

名称と識別子

優先名称: 2-(8-Bromooctyl)-1,3-dioxolane
IUPAC: 2-(8-bromooctyl)-1,3-dioxolane

名称と別名

2-(8-bromooctyl)-1,3-dioxolaneRefChem:459365130995-44-7635-273-0SCHEMBL829693WJIZUNSRMNMEPR-UHFFFAOYSA-N

データベース識別子

CAS: 130995-44-7
PubChem CID: 11832318
EC Number: 635-273-0
Nikkaji: J622.244G

物性

構造計算による物性

XLogP: 3.7
極性表面積: 18.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 8
重原子数: 14
形式電荷: 0
複雑度: 124

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.