2-Acetyl-4-fluorophenol (HCID 95992)

개요

1-(5-Fluoro-2-hydroxyphenyl)ethan-1-one is an aromatic ketone.

이름 및 식별자

우선 이름: 2-Acetyl-4-fluorophenol
IUPAC: 1-(5-fluoro-2-hydroxyphenyl)ethanone
영어명: 1-(5-Fluoro-2-hydroxyphenyl)-1-ethanone
분자식: C8H7FO2
분자량: 154.14

이름 및 동의어

394-32-15'-Fluoro-2'-hydroxyacetophenone1-(5-Fluoro-2-hydroxyphenyl)ethanone1-(5-Fluoro-2-hydroxyphenyl)ethan-1-one5-Fluoro-2-hydroxyacetophenone2-Hydroxy-5-fluoroacetophenoneAcetophenone, 5'-fluoro-2'-hydroxy-2-Acetyl-4-fluorophenolUE6FHC9K7MNSC-46624KOFFXZYMDLWRHX-UHFFFAOYSA-DTXSID30192588

이름 더 보기

2-Acety-4-fluorophenol1-(5-FLUORO-2-HYDROXY-P2-hydroxy-5-fluorophenone5'-Fluoro-2'-hydroxyacetopheno5’-fluoro-2’-hydroxy-acetophenon

NSC 46624RefChem:197650DTXCID701150793-FLUORO-6-HYDROXYACETOPHENONEInChI=1/C8H7FO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H3KOFFXZYMDLWRHX-UHFFFAOYSA-N1-(5-fluoro-2-hydroxyphenyl)-1-ethanoneEthanone, 1-(5-fluoro-2-hydroxyphenyl)-

데이터베이스 식별자

CAS: 394-32-1
PubChem CID: 95992
DTXSID: DTXSID30192588
ChEMBL: CHEMBL5278222
ChEBI: CHEBI:194799
UNII: UE6FHC9K7M
EC Number: 206-893-5
Nikkaji: J213.629E

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 158

물리화학적 성질

녹는점: 56 · 56-58 °C(lit.)
끓는 점: 65 · 65-66 °C8 mm Hg(lit.)
밀도: 1.185 · 1.1850 (estimate)
인화점: 65 · 65-66°C/8mm
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 10.17 · 10.17±0.18(Predicted)
색상: 흰색에서 회색, 갈색까지
수용성: 0.68 G/L입니다 · 용해도는 0.68G/L입니다.
BRN: 2359087 · 2359087
InChI: 1S/C8H7FO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H3
InChIKey: KOFFXZYMDLWRHX-UHFFFAOYSA-N
SMILES: CC(=O)c1cc(F)ccc1O
NIST: 5 · 5-Fluoro-2-hydroxyacetophenone(394-32-1)

화학적 성질

light yellow to beige-brown crystals

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (88%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (88%)

안전 데이터

wgk: 3
rtecs: AM8502300
HS 번호: 29147000
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-37/39-36/37/39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도5′-Fluoro-2′-hydroxyacetophenone has been used in the preparation of:1-(5-fluoro-2-hydroxyphenyl)-3-hydroxy-5-phenyl-2,4-pentadien-1-one3-hydroxy and 3-methoxyflavones3-hydroxy and 3-methoxy 2-styrylchromones