4-Fluorophenethyl Alcohol

HCID 82068CAS 7589-27-7

기본 정보

표준 SMILES: OCCc1ccc(F)cc1
InChIKey: MWUVGXCUHWKQJE-UHFFFAOYSA-N
분자식: C8H9FO
평균 분자량: 140.15 g/mol
단동위원소 질량: 140.06374313

이름 및 식별자

우선 이름: 4-Fluorophenethyl Alcohol
IUPAC: 2-(4-fluorophenyl)ethanol
영어명: 4-Fluorophenethyl alcohol
분자식: C8H9FO
분자량: 140.15

이름 및 동의어

4-Fluorophenethyl alcohol2-(4-Fluorophenyl)ethanol7589-27-7Benzeneethanol, 4-fluoro-4-fluorophenylethanol2-(4-Fluorophenyl)Ethan-1-Ol4-Fluorophenethylic alcohol4-fluorobenzeneethanol1LO8D3EB0NAI3-36431MWUVGXCUHWKQJE-UHFFFAOYSA-EINECS 231-499-5

이름 더 보기

uorophenethyL4-Fluorophenethyl alBenzeneethanol,4-fluoro-2-(4-Fuorophenyl)ethanol4-fluorophenethyl alcohl2-(P-FLUOROPHENYL)ETHANOL

2-[4-Fluorophenyl]ethanolDTXSID30226812RefChem:523448DTXCID60149303231-499-5InChI=1/C8H9FO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2MFCD00002898Phenethyl alcohol, p-fluoro-

데이터베이스 식별자

CAS: 7589-27-7
PubChem CID: 82068
DTXSID: DTXSID30226812
UNII: 1LO8D3EB0N
EC Number: 231-499-5
Nikkaji: J246A

물성

구조 계산 물성

XLogP: 0.9
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: 87.3

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

끓는 점: 110 °C · 110°C 20mm
밀도: 1.121 g/mL · 1.121 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.507(lit.)
인화점: 220 °F · 220 °F
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 14.84 · 14.84±0.10(Predicted)
물리적 상태: 액체
Specific Gravity: 1.121 · 1.121
색상: 무색의
BRN: 2354310 · 2354310
InChI: 1S/C8H9FO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2
InChIKey: MWUVGXCUHWKQJE-UHFFFAOYSA-N
SMILES: OCCc1ccc(F)cc1
NIST: 4 · Benzeneethanol, 4-fluoro-(7589-27-7)

화학적 성질

Colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (14.3%): 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.