4-플루오로-4-하이드록시벤조페논

4-Fluoro-4'-hydroxybenzophenone

HCID 117666

기본 정보

CAS: 25913-05-7
표준 SMILES: O=C(c1ccc(O)cc1)c1ccc(F)cc1
InChIKey: HLRVUOFDBXRZBI-UHFFFAOYSA-N
분자식: C13H9FO2
평균 분자량: 216.21 g/mol
단동위원소 질량: 216.05865775

개요

4-fluoro-4'-hydroxybenzophenone is a member of the class of benzophenones that is phenol substituted by a 4-fluorobenzoyl group at position 4. It has a role as a plant metabolite. It is a member of benzophenones, a member of phenols and a member of monofluorobenzenes.

이름 및 식별자

우선 이름: 4-Fluoro-4'-hydroxybenzophenone
IUPAC: (4-fluorophenyl)-(4-hydroxyphenyl)methanone
현지명: 4-플루오로-4-하이드록시벤조페논
영어명: 4-Fluoro-4'-hydroxybenzophenone
분자식: C13H9FO2
분자량: 216.21

이름 및 동의어

25913-05-74-Fluoro-4'-hydroxybenzophenone4-(4-fluorobenzoyl)phenolMethanone, (4-fluorophenyl)(4-hydroxyphenyl)-DTXSID90180587EINECS 247-340-8CHEBI:176638(4-luorophenyl)-(4-hydroxyphenyl)methanoneRefChem:989884-(p-fluorobenzoyl)phenolp-(4-fluorobenzoyl)phenolDTXCID30103078

이름 더 보기

4-플루오로-4-하이드록시벤조페논4-플루오로-4'-하이드록시벤조페논4''-Fluoro-4-LABOTEST-BB LT000534904-Fluoro-4'-hydroxybenzophenone>4-FLUORO-4''-HYDROXYBENZOPHENONE 98+%4-Hydroxyphenyl(4-fluorophenyl)methanone(4-Fluorophenyl)(4-hydroxyphenyl) ketone(4-fluorophenyl)(4-hydroxyphenyl)methylone

1-(4-fluorophenyl)-1-(4-hydroxyphenyl)methanone247-340-8HLRVUOFDBXRZBI-UHFFFAOYSA-N(4-Fluorophenyl)(4-hydroxyphenyl)methanone4-Fluoro-4'-hydroxybenzopheone(4-fluorophenyl)-(4-hydroxyphenyl)methanoneMFCD000114844-fluorophenyl 4-hydroxyphenyl ketone

데이터베이스 식별자

CAS: 25913-05-7
PubChem CID: 117666
DTXSID: DTXSID90180587
ChEMBL: CHEMBL1650274
ChEBI: CHEBI:176638
EC Number: 247-340-8
Nikkaji: J208.530E

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 238

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Benzophenones

Endocrine DisruptorsPotential endocrine disrupting compound

Physical DescriptionSolid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 164 · 164-167 °C(lit.)
끓는 점: 374.3 · 374.3±27.0 °C(Predicted)
밀도: 1.27 · 1.270±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: powder to crystal
산도 계수 (pKa): 7.77 · 7.77±0.15(Predicted)
색상: White to Light yellow to Light orange

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29147000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-24/25
위험 등급: IRRITANT

화학 및 산업

제조 방법

Preparation by reaction of p-fluorobenzoyl chloride with phenol, in the presence of aluminium chloride; in the presence of boron trifluoride in hydrofluoric acid (83%).