1-(2,6-디클로로-3-플루오로페닐)에탄올

1-(2,6-Dichloro-3-fluorophenyl)ethan-1-ol

HCID 16770068

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 756520-66-8
표준 SMILES: CC(O)c1c(Cl)ccc(F)c1Cl
InChIKey: JAOYKRSASYNDGH-UHFFFAOYSA-N
분자식: C8H7Cl2FO
평균 분자량: 209.04 g/mol
단동위원소 질량: 207.98579842

이름 및 식별자

우선 이름: 1-(2,6-Dichloro-3-fluorophenyl)ethan-1-ol
IUPAC: 1-(2,6-dichloro-3-fluorophenyl)ethanol
현지명: 1-(2,6-디클로로-3-플루오로페닐)에탄올
영어명: 1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHANOL
분자식: C8H7Cl2FO
분자량: 209.04

이름 및 동의어

756520-66-81-(2,6-dichloro-3-fluorophenyl)ethan-1-olDTXSID70588143RefChem:222961DTXCID30538907641-161-21-(2,6-dichloro-3-fluorophenyl)ethanolMFCD084433341-(2,6-dichloro-3-fluoro-phenyl)ethanol(1R)-1-(2,6-dichloro-3-fluoro-phenyl)ethanol(S)-1-(2,6-Dichloro-3-fluoro-phenyl)-ethanol(R)-2,6-Dichloro-3-fluoro-|A-methylbenzyl Alcohol

이름 더 보기

1-(2,6-디클로로-3-플루오로페닐)에탄올1-(2,6-Dichloro-3-Fluorophenyl)ethano-1-ol1-(2,6-dichloro-3-fluorophenyl)ethanol isotopeBenzeneMethanol,2,6-dichloro-3-fluoro-a-Methyl-2,6-Dichloro-3-fluoro-alpha-methylbenzyl alcoholBenzenemethanol, 2,6-dichloro-3-fluoro-α-methyl-1-(2,6-Dichloro-3-Fluorophenyl)ethano-1-ol(HCl forM)

Q62XSG8V9FSCHEMBL488680SCHEMBL1581179SCHEMBL30005568JAOYKRSASYNDGH-UHFFFAOYSA-NAKOS000126451AKOS016842293CS-W019578

데이터베이스 식별자

CAS: 756520-66-8
PubChem CID: 16770068
DTXSID: DTXSID70588143
UNII: Q62XSG8V9F
EC Number: 641-161-2
Nikkaji: J2.892.170E

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 156

물리화학적 성질

끓는 점: 261.3 · 261.3±35.0℃ (760 Torr)
밀도: 1.406 · 1.406±0.06 g/cm3 (20 ºC 760 Torr)
인화점: 111.8 · 111.8±25.9℃
저장 조건: Sealed in dry,Room Temperature
물리적 상태: solid
산도 계수 (pKa): 13.3 · 13.30±0.20(Predicted)
InChI: 1S/C8H7Cl2FO/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-4,12H,1H3
InChIKey: JAOYKRSASYNDGH-UHFFFAOYSA-N
SMILES: CC(O)c1c(Cl)ccc(F)c1Cl

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.