Ethanol, 2-((2,6-dichlorophenyl)methoxy)-

HCID 13341669

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 85309-91-7
표준 SMILES: OCCOCc1c(Cl)cccc1Cl
InChIKey: MCVIDUDFKDIJMZ-UHFFFAOYSA-N
분자식: C9H10Cl2O2
평균 분자량: 221.08 g/mol
단동위원소 질량: 220.0057849

이름 및 식별자

우선 이름: Ethanol, 2-((2,6-dichlorophenyl)methoxy)-
IUPAC: 2-[(2,6-dichlorophenyl)methoxy]ethanol
영어명: Ethanol, 2-[(2,6-dichlorophenyl)Methoxy]-
분자식: C9H10Cl2O2
분자량: 221.08

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 134

물리화학적 성질

끓는 점: 318.8 · 318.8±32.0 °C(Predicted)
밀도: 1.327 · 1.327±0.06 g/cm3(Predicted)
저장 조건: Store at room temperature
산도 계수 (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

안전 및 규제

GHS 분류

GHS Classification · 3건

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.