기본 정보
- CAS
62433-26-5- 표준 SMILES
O=C(c1ccc(Cl)cc1)c1cc(F)ccc1O- InChIKey
AYBQWBCUAWOLCT-UHFFFAOYSA-N- 분자식
- C13H8ClFO2
- 평균 분자량
- 250.65 g/mol
- 단동위원소 질량
- 250.0196853
이름 및 식별자
- 우선 이름
- 4'-Chloro-5-fluoro-2-hydroxybenzophenone
- IUPAC
- (4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methanone
- 현지명
- 4'-클로로-5-플루오로-2-하이드록시벤조페논
- 영어명
- 4'-Chloro-5-fluoro-2-hydroxybenzophenone
- 분자식
- C13H8ClFO2
- 분자량
- 250.65
이름 및 동의어
62433-26-5(4-Chlorophenyl)(5-fluoro-2-hydroxyphenyl)methanone4'-Chloro-5-fluoro-2-hydroxybenzophenoneEINECS 263-539-2DTXSID40211476RefChem:506062DTXCID40133967263-539-2MFCD00040948(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methanoneMethanone, (4-chlorophenyl)(5-fluoro-2-hydroxyphenyl)-AKOS015913537
이름 더 보기
4'-클로로-5-플루오로-2-하이드록시벤조페논SL-79-182SL-79-182-004'-Chloro-5-fluoro-2-hydroxyacetophenone2-Hydroxy-4'-chloro-5-fluorobenzophenone4'-CHLORO-5-FLUORO-2-HYDROXYBENZOPHENON&4'-Chloro-5-fluoro-2-hydroxybenzophenone97%(4-Chlorophenyl)(5-fluoro-2-hydroxyphenyl) ketone(4-chloro-5-fluoro-2-hydroxyphenyl)-phenylmethanone
DS-46562-hydroxy-5-fluoro-4'-chloro-benzophenone4-Chloro-5'-fluoro-2'-hydroxybenzophenoneC3338EthylN-Cbz-2-piperidineacetateFT-0618114RAB636KJF9A833767
데이터베이스 식별자
- CAS
62433-26-5- PubChem CID
- 112841
- DTXSID
DTXSID40211476- UNII
- RAB636KJF9
- EC Number
- 263-539-2
- Nikkaji
- J227.882K
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 277
실험 및 물리화학적 성질
LogP4.05
물리화학적 성질
- 녹는점
- 65 · 65-69 °C(lit.)
- 끓는 점
- 145 · 145-152/5mm
- 밀도
- 1.376 · 1.376
- 인화점
- 177 ℃ · 177℃
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- powder to crystal
- 색상
- White to Yellow to Green
- 수용성
- 8.999 mg/L · 8.999mg/L(37℃)
- InChI
- InChI=1S/C13H8ClFO2/c14-9-3-1-8(2-4-9)13(17)11-7-10(15)5-6-12(11)16/h1-7,16H
- InChIKey
- AYBQWBCUAWOLCT-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(Cl)C=C1)(C1=CC(F)=CC=C1O)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 2914500090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 위험 참고 사항
- Irritant
화학 및 산업
응용 분야
용도4''-Chloro-5-fluoro-2-hydroxybenzophenone is a metabolite of Progabide (P755350) which is a gamma-aminobutyric acid (GABA) antagonist with antiepileptic activity. 4''-Chloro-5-fluoro-2-hydroxybenzophenone is also used as a reagent in the synthesis of a series of novel dihydrobenzofuranols which displayed antibacterial activity comparable to bacitracin, ciprofloxacin and gentamicin.
제조 방법
Preparation by Fries rearrangement of p-fluorophenyl p-chlorobenzoate, with titanium tetrachloride at 150° for 18 h (81%); with aluminium chloride, at 130° for 2 h (98%) or at 200° for 5 min or for 15 min (65%).
상·하류 제품 정보
하류 제품
공급사42 곳
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
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