5'-Bromo-2'-hydroxyacetophenone

HCID 95991CAS 1450-75-5
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(=O)c1cc(Br)ccc1O
InChIKey
HQCCNFFIOWYINW-UHFFFAOYSA-N
분자식
C8H7BrO2
평균 분자량
215.04 g/mol
단동위원소 질량
213.96294156

이름 및 식별자

우선 이름
5'-Bromo-2'-hydroxyacetophenone
IUPAC
1-(5-bromo-2-hydroxyphenyl)ethanone
영어명
5-Bromo-2-hydroxyacetophenone
분자식
C8H7BrO2
분자량
215.04

이름 및 동의어

1450-75-51-(5-Bromo-2-hydroxyphenyl)ethanone5'-Bromo-2'-hydroxyacetophenone2-Acetyl-4-bromophenolEthanone, 1-(5-bromo-2-hydroxyphenyl)-2'-Hydroxy-5'-bromoacetophenoneBRN 20451404-08-00-00328 (Beilstein Handbook Reference)DTXSID50162864NSC 466211-[5-Bromo-2-hydroxyphenyl]ethanoneRefChem:100759
이름 더 보기
1-(3-broMophenyl)-2-hydroxyethan-1-oneAKOS BBS-000066225-BroMo-2-hydroxyace5-Bromo-2-hydroxyacetophe5-Methyl-6-Hydroxysalicylate5’-bromo-2’-hydroxy-acetophenon2’-hydroxy-5’-bromoacetophenone
DTXCID2085355Acetophenone, 5'-bromo-2'-hydroxy-(6CI,7CI,8CI)604-457-2InChI=1/C8H7BrO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H5-bromo-2-hydroxyacetophenone1-(5-bromo-2-hydroxyphenyl)ethan-1-oneMFCD001918502-hydroxy-5-bromoacetophenone

데이터베이스 식별자

CAS
1450-75-5
PubChem CID
95991
DTXSID
DTXSID50162864
ChEMBL
CHEMBL4469150
EC Number
604-457-2
Nikkaji
J1.296.783G

물성

구조 계산 물성

XLogP
2.7
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
11

물리화학적 성질

녹는점
58 · 58-61 °C(lit.)
끓는 점
135 · 135-143 °C(Press: 16 Torr)
밀도
1.586 · 1.586±0.06 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
용해도
클로로포름에 용해됨
산도 계수 (pKa)
9.59 · 9.59±0.18(Predicted)

화학적 성질

White to pale yellow crystalline powder

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 44 reports by companies from 6 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
rtecs
KM5556350
독성
mouse,LD50,intraperitoneal,> 1gm/kg (1000mg/kg),Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 20, Pg. 480, 1981.
HS 번호
29147000
risk_code
36/37/38
hazard_code
Xi

화학 및 산업

응용 분야 · 1건

용도5-Bromo-2-hydroxyacetophenone (5-Bromo-2-hydroxyacetophenone) may be used in ligand in the preparation of tetrahedral metallocene complexes containing vanadium(IV), synthesis of {2-[1-(5-bromo-2-oxidophenyl) ethylidene] benzohydrazidato (2-)} tris(pyridine) nickel(II)] pyridine solvate, synthesis of N-[1-(5-bromo-2-hydroxyphenyl)ethylidene]-3,4,5-trihydroxybenzohydrazide dimethyl sulfoxide solvate trihydrate, preparation of 6-bromochromen-4-one.

제조 방법

Preparation by Fries rearrangement of 4-bromophenyl acetate with aluminium chloride without solvent between 110° and 160° (84–91%).

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

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