1-(5-브로모-2-플루오로페닐)에타논

1-(5-Bromo-2-fluorophenyl)ethanone

HCID 22607476

기본 정보

CAS
198477-89-3
표준 SMILES
CC(=O)c1cc(Br)ccc1F
InChIKey
XNRQIHIOKXQSPG-UHFFFAOYSA-N
분자식
C8H6BrFO
평균 분자량
217.03 g/mol
단동위원소 질량
215.95861

이름 및 식별자

우선 이름
1-(5-Bromo-2-fluorophenyl)ethanone
IUPAC
1-(5-bromo-2-fluorophenyl)ethanone
현지명
1-(5-브로모-2-플루오로페닐)에타논
영어명
1-(5-Bromo-2-fluorophenyl)ethanone
분자식
C8H6BrFO
분자량
217.04

이름 및 동의어

1-(5-bromo-2-fluorophenyl)ethanone198477-89-3RefChem:426239806-758-6Ethanone, 1-(5-bromo-2-fluorophenyl)-5'-Bromo-2'-fluoroacetophenone1-(5-bromo-2-fluorophenyl)ethan-1-one1-(5-Bromo-2-fluorophenyl)-1-ethanoneMFCD112268801-(5-bromo-2-fluoro-phenyl)-ethanone1-(5-bromo-2-fluoro-phenyl)ethanoneSCHEMBL10082
이름 더 보기
1-(5-브로모-2-플루오로페닐)에타논2-Fluoro-5-bromoacetophenone5-BROMO-2-FLUOROPHENYLETHANONE5‘-BroMo-2'-fluoroacetophenone5-BroMo-2-fluorophenyl)-1-ethanone5'-Bromo-2'-fluoroacetophenone,98%1-(5-BROMO-2-FLUORO-PHENYL)-ETHANON
orb2940504SCHEMBL30374539DTXSID30626858XNRQIHIOKXQSPG-UHFFFAOYSA-N1-acetyl-5-bromo-2-fluorobenzeneCS-D0882SBB068707TYD-00074

데이터베이스 식별자

CAS
198477-89-3
PubChem CID
22607476
DTXSID
DTXSID30626858
EC Number
806-758-6
Nikkaji
J3.484.524G

물성

구조 계산 물성

XLogP
2.4
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
11

물리화학적 성질

녹는점
42 °C · 42 °C
끓는 점
251 ℃ · 251℃
밀도
1.535 · 1.535
인화점
106 ℃ · 106℃
저장 조건
Sealed in dry,Room Temperature
물리적 상태
고체

안전 및 규제

안전 데이터

wgk
WGK 3
HS 번호
2914390090
위험 등급
IRRITANT
Hazard Classifications
Acute Tox. 4 OralEye Irrit. 2
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야

용도5'-Bromo-2'-fluoroacetophenone is an intermediate used in pharmaceuticals.

제조 방법 · 1건

Synthesis of 1-(5-Bromo-2-fluorophenyl)ethanone: In a dry flask, a solution of 5-bromo-2-fluoro-N-methoxy-N-methylbenzamide (3.73 g, 14.2 mmol) in tetrahydrofuran (24 mL) was treated dropwise with a solution of methyl magnesium chloride (3 M in THF, 5.69 mL, 17 mmol) at 12–16 °C. After complete addition, the reaction mixture was heated to reflux. After 20 min, the resulting white suspension was quenched with saturated ammonium chloride solution (25 mL) under ice cooling. The mixture was then diluted with ethyl acetate (50 mL), and the aqueous layer was separated and re-extracted with ethyl acetate (50 mL). The combined organic layers were washed with brine (20 mL), dried over anhydrous sodium sulfate, and concentrated under reduced pressure. The crude product was purified to afford 1-(5-bromo-2-fluorophenyl)ethanone as a pale yellow solid (2.6 g, 84% yield), with an Rf = 0.55 (silica gel, eluent: heptane/ethyl acetate = 4:1).

공급사100 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

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