CAS 85309-91-7 Ethanol, 2-((2,6-dichlorophenyl)methoxy)- (HCID 13341669)

基本情報

CAS: 85309-91-7
標準SMILES: OCCOCc1c(Cl)cccc1Cl
InChIKey: MCVIDUDFKDIJMZ-UHFFFAOYSA-N
分子式: C9H10Cl2O2
平均分子量: 221.08 g/mol
単同位体質量: 220.0057849

名称と識別子

優先名称: Ethanol, 2-((2,6-dichlorophenyl)methoxy)-
IUPAC: 2-[(2,6-dichlorophenyl)methoxy]ethanol
英語名: Ethanol, 2-[(2,6-dichlorophenyl)Methoxy]-
分子式: C9H10Cl2O2
分子量: 221.08

名称と別名

2-((2,6-Dichlorobenzyl)oxy)ethanolEthanol, 2-[(2,6-dichlorophenyl)methoxy]-2-[(2,6-dichlorobenzyl)oxy]ethanolEthanol, 2-((2,6-dichlorophenyl)methoxy)-RefChem:592107691-997-785309-91-72-(2,6-dichlorobenzyloxy)ethanol2-[(2,6-DICHLOROPHENYL)METHOXY]ETHANOLMFCD21337361SCHEMBL925766MCVIDUDFKDIJMZ-UHFFFAOYSA-N

名称をさらに表示

BNKY020-VT05Vilanterol Impurity 22Vilanterol Impurity 52*Nifuratel Impurity 27 (Furan)(2, 6-Dichlorobenzyl) Oxy]Ethanol2-[(2,6-Dichlorobenzyl)oxy]ethane2-[(2,6-Dichlorophenyl)methoxy]-ethanol

DTXSID5012963402-(2,6-dichlorobenzyloxyl)ethanolCS-M25902-(2,6-Dichlorobenzyloxy) ethanolAKOS0273397192-((2,6-dichlorobenzyl)oxy)ethan-1-olCS-13189DA-02260

データベース識別子

CAS: 85309-91-7
PubChem CID: 13341669
DTXSID: DTXSID501296340
EC Number: 691-997-7

物性

構造計算による物性

XLogP: 2.1
極性表面積: 29.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 4
重原子数: 13
形式電荷: 0
複雑度: 134

物理化学的性質

沸点: 318.8 · 318.8±32.0 °C(Predicted)
比重(密度): 1.327 · 1.327±0.06 g/cm3(Predicted)
貯蔵温度: Store at room temperature
酸解離定数(Pka): 14.3 · 14.30±0.10(Predicted)
InChI: InChI=1S/C9H10Cl2O2/c10-8-2-1-3-9(11)7(8)6-13-5-4-12/h1-3,12H,4-6H2
InChIKey: MCVIDUDFKDIJMZ-UHFFFAOYSA-N
SMILES: C(O)COCC1=C(Cl)C=CC=C1Cl

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (11 of 11) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 11 of 11 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 11 of 11 reports by companies.；There are 0 notifications provided by 0 of 11 reports by companies with hazard statement code(s).；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.