3',5'-Dihydroxyacetophenone (HCID 103993)

개요

3',5'-Dihydroxyacetophenone is an aromatic ketone.

이름 및 식별자

우선 이름: 3',5'-Dihydroxyacetophenone
IUPAC: 1-(3,5-dihydroxyphenyl)ethanone
영어명: 3,5-Dihydroxyacetophenone
분자식: C8H8O3
분자량: 152.15

이름 및 동의어

3',5'-Dihydroxyacetophenone51863-60-61-(3,5-Dihydroxyphenyl)ethanone3,5-Dihydroxyacetophenone1-(3,5-Dihydroxyphenyl)ethan-1-oneEthanone, 1-(3,5-dihydroxyphenyl)-KP7R433NNREINECS 257-480-13',5'-Dihydroxyphenyl Methyl KetoneDTXSID80199825ACETOPHENONE, 3',5'-DIHYDROXY-RefChem:484557

이름 더 보기

TerbutalineImpurity513,5-DIHYDROXYACETOPHENON3,5-Dihydroxyacetophnone3,5-Dihydroxyacetophemone3,5-didroxyphenyl,Cthanone

DTXCID401223165-Acetylresorcinol3'5'-dihydroxyacetophenoneMFCD00002290CHEMBL5070421-acetyl-3,5-dihydroxybenzeneUNII-KP7R433NNR1-(3,5-Dihydroxyphenyl)-ethanone

데이터베이스 식별자

CAS: 51863-60-6
PubChem CID: 103993
DTXSID: DTXSID80199825
ChEMBL: CHEMBL507042
ChEBI: CHEBI:173645
UNII: KP7R433NNR
EC Number: 257-480-1
Nikkaji: J141.628F

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 145

실험 및 물리화학적 성질

Melting Point147 - 148 °C

Physical DescriptionSolid

물리화학적 성질

녹는점: 145 · 145-146 °C(lit.)
끓는 점: 234.6 °C · 234.6°C (rough estimate)
밀도: 1.2143 · 1.2143 (rough estimate)
굴절률: 1.4447 · 1.4447 (estimate)
저장 조건: Inert atmosphere,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 8.63 · 8.63±0.10(Predicted)
물리적 상태: 가루
색상: 황백색에서 갈색까지
BRN: 1936502 · 1936502
InChI: InChI=1S/C8H8O3/c1-5(9)6-2-7(10)4-8(11)3-6/h2-4,10-11H,1H3
InChIKey: WQXWIKCZNIGMAP-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC(O)=CC(O)=C1)C
LogP: 1.019 · 1.019 (est)

화학적 성질

white to light yellow crystal 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 53 reports by companies from 5 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: 29145090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

응용 분야

용도3',5'-Dihydroxyacetophenone is a dihydroxy derivative of acetophenone. 3',5'-Dihydroxyacetophenone shows inhibitory activity towards plant germination and growth as well as some antitumor activity.

제조 방법

Preparation from 3,5-dimethoxyacetophenone (SM) by demethylation with aluminium chloride in refluxing chlorobenzene (71%) The starting material (SM) was prepared by a three-step procedure from 3,5-dimethoxy-benzoic acid.

상·하류 제품 정보

상류 원료

Ethanone, 1-[3,5-bis(phenylmethoxy)phenyl]-2-(methylsulfonyl)-3,5-Dibenzyloxyacetophenone 1-(3-(benzyloxy)-5-hydroxyphenyl)ethanone 3,5-디아세톡시아세토페논 3,5-Bis(benzyloxy)benzoic acid benzyl ester 3',5'-Dimethoxyacetophenone

하류 제품

테프탈린 황산염 터부타린 5-(브로모아세틸)-1,3-페닐렌비스(디메틸카르바메이트)(R)-1-(3,5-diMethoxyphenyl)ethanaMine

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]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

연결된 노트

불러오는 중…

3',5'-Dihydroxyacetophenone

기본 정보

개요