2-(3-Fluorophenyl)ethanol

HCID 573132

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부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 52059-53-7
표준 SMILES: OCCc1cccc(F)c1
InChIKey: MZNBGEKFZCWVES-UHFFFAOYSA-N
분자식: C8H9FO
평균 분자량: 140.15 g/mol
단동위원소 질량: 140.06374313

이름 및 식별자

우선 이름: 2-(3-Fluorophenyl)ethanol
IUPAC: 2-(3-fluorophenyl)ethanol
영어명: 3-Fluorophenethyl alcohol
분자식: C8H9FO
분자량: 140.15

이름 및 동의어

2-(3-Fluorophenyl)ethanol52059-53-7DTXSID80341448RefChem:455576DTXCID00292529691-498-43-Fluorophenethyl alcohol2-(3-fluorophenyl)ethan-1-olBenzeneethanol, 3-fluoro-3-FluorophenylethanolMFCD00045998SCHEMBL37877

이름 더 보기

Pratraxa impurity 13-Fluorobenzeneethanol3-fluorophenyl alcohol2-(M-FLUOROPHENYL)ETHANOL3-Fluorophenethylealcohol

3-Fluorophenethyl alcohol, 98%2-(3-Fluorophenyl)ethyl AlcoholEN300-921683-fluorobenzenethanol3-(fluoro)phenethyl alcohol2-(3-Fluorophenyl)ethanol #SCHEMBL1047252SCHEMBL1662135

데이터베이스 식별자

CAS: 52059-53-7
PubChem CID: 573132
DTXSID: DTXSID80341448
EC Number: 691-498-4
Nikkaji: J119.466F

물성

구조 계산 물성

XLogP: 2
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 95.3

물리화학적 성질

끓는 점: 90 °C/3 · 90 °C/3 mmHg (lit.)
밀도: 1.125 g/mL · 1.125 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.509(lit.)
인화점: 225 °F · 225 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
산도 계수 (pKa): 14.76 · 14.76±0.10(Predicted)
색상: 무색의
InChI: 1S/C8H9FO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2
InChIKey: MZNBGEKFZCWVES-UHFFFAOYSA-N
SMILES: OCCc1cccc(F)c1

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (75%)

안전 데이터

wgk: 3
ridadr: 2810
HS 번호: 29062990
risk_code: 36/37/38-21/22-34
hazard_code: C,Xn
safety_code: 26-36/37/39-45-27
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

일반 설명3-Fluorophenethyl alcohol is a fluorinated β-phenethyl alcohol. Regioselective synthesis of 3-fluorophenethyl alcohol via regioselective hydroboration has been reported.