1-(3,5-Difluorophenyl)ethan-1-ol

HCID 2782326

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 467223-90-1
표준 SMILES: CC(O)c1cc(F)cc(F)c1
InChIKey: UEGDJZYKJPZJAA-UHFFFAOYSA-N
분자식: C8H8F2O
평균 분자량: 158.14 g/mol
단동위원소 질량: 158.05432132

이름 및 식별자

우선 이름: 1-(3,5-Difluorophenyl)ethan-1-ol
IUPAC: 1-(3,5-difluorophenyl)ethanol
영어명: 1-(3,5-Difluorophenyl)ethanol
분자식: C8H8F2O
분자량: 158.15

이름 및 동의어

1-(3,5-difluorophenyl)ethanol872181-59-41-(3,5-Difluorophenyl)ethan-1-olDTXSID60963647RefChem:422929DTXCID001391387642-865-2688-370-5MFCD040382853,5-Difluorophenylmethylcarbinol3,5-Difluoro-alpha-methylbenzyl alcohol(3,5-Difluorophenyl)methylcarbinol, 1-(3,5-Difluorophenyl)ethan-1-ol

이름 더 보기

2-(3,5-difluorophenyl)ethan-1-ol3,5-Difluorobenzeneethanol2-(3,5-Difluorophenyl)ethanolBenzeneethanol, 3,5-difluoro-1-(3,5-Difluorophenyl)ethanol97%1-(3,5-Difluorophenyl)ethanol 97%Benzeneethanol, 3,5-difluoro- (9CI)

Benzenemethanol, 3,5-difluoro-alpha-methyl-SCHEMBL1154665SCHEMBL4066383SCHEMBL16953805UEGDJZYKJPZJAA-UHFFFAOYSA-NSTA22390SBB087278AKOS009158498

데이터베이스 식별자

CAS: 467223-90-1、872181-59-4
PubChem CID: 2782326
DTXSID: DTXSID60963647
EC Number: 642-865-2

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 119

물리화학적 성질

끓는 점: 195.6 · 195.6±25.0 °C(Predicted)
밀도: 1.233 · 1.233±0.06 g/cm3(Predicted)
저장 조건: Store at room temperature
산도 계수 (pKa): 14.63 · 14.63±0.10(Predicted)

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 30 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.