1-(4-Fluorophenyl)ethanol

HCID 73946CAS 403-41-8

기본 정보

표준 SMILES: CC(O)c1ccc(F)cc1
InChIKey: PSDSORRYQPTKSV-UHFFFAOYSA-N
분자식: C8H9FO
평균 분자량: 140.15 g/mol
단동위원소 질량: 140.06374313

이름 및 식별자

우선 이름: 1-(4-Fluorophenyl)ethanol
IUPAC: 1-(4-fluorophenyl)ethanol
영어명: 1-(4-Fluorophenyl)ethanol
분자식: C8H9FO
분자량: 140.16

이름 및 동의어

1-(4-fluorophenyl)ethanol403-41-84-Fluoro-alpha-methylbenzyl alcoholRefChem:907365206-959-31-(4-Fluorophenyl)ethyl Alcohol1-(4-fluorophenyl)ethan-1-olp-Fluorophenylmethylcarbinol4-FluorophenylmethylcarbinolMFCD000045154-Fluorophenyl methyl carbinol4-fluoro-a-methylbenzyl alcohol

이름 더 보기

1-(4-Fluorophenyl)-1-Ethanol1-(4-FLU1-(P-FLUOROPHENYL)ETHANOL4-fluoro-α-methylbenzyl alcohol1-(p-Fluorophenyl)ethyl alcoholα-Methyl-4-fluorobenzyl alcohol

(R)-1-(4-Fluorophenyl)ethan-1D-1-ol1309602-17-21-(4-fluorophenyl)-ethanolNSC2983EINECS 206-959-31-(4-flourophenyl)ethanolSCHEMBL57895SCHEMBL502663

데이터베이스 식별자

CAS: 403-41-8
PubChem CID: 73946
DTXSID: DTXSID001365831
EC Number: 206-959-3
Nikkaji: J213.661I

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 97.4

물리화학적 성질

녹는점: 9 °C · 9 °C
끓는 점: 90 · 90-92 °C7 mm Hg(lit.)
밀도: 1.109 g/mL · 1.109 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.501(lit.)
인화점: 195 °F · 195 °F
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 14.36 · 14.36±0.20(Predicted)
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
Specific Gravity: 1.12 · 1.120
InChI: 1S/C8H9FO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3
InChIKey: PSDSORRYQPTKSV-UHFFFAOYSA-N
SMILES: CC(O)c1ccc(F)cc1
NIST: 4 · 4-Fluorophenylmethylcarbinol(403-41-8)

화학적 성질

clear light yellow liquid

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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.