3-Hydroxyacetophenone (HCID 8487)

개요

structure in first source

이름 및 식별자

우선 이름: 3-Hydroxyacetophenone
IUPAC: 1-(3-hydroxyphenyl)ethanone
영어명: 3'-Hydroxyacetophenone
분자식: C8H8O2
분자량: 136.15

이름 및 동의어

3'-Hydroxyacetophenone121-71-13-Hydroxyacetophenone3-ACETYLPHENOLAcetophenone, 3'-hydroxy-UV3GO1D90JNSC-2440DTXSID5059533RefChem:90427DTXCID0033679204-494-01-(3-Hydroxyphenyl)ethanone

이름 더 보기

3-ACETOPHENOL3-HydroxyacetophenonMETA-HYDROXYACETOPHENONE3-HAP

m-Hydroxyacetophenone1-(3-Hydroxyphenyl)ethan-1-onem-AcetylphenolEthanone, 1-(3-hydroxyphenyl)-MFCD00002298NSC 24403-hydroxy acetophenone3-HYDROXY-ACETOPHENONE

데이터베이스 식별자

CAS: 121-71-1
PubChem CID: 8487
DTXSID: DTXSID5059533
ChEMBL: CHEMBL404719
UNII: UV3GO1D90J
EC Number: 204-494-0
Nikkaji: J60.314G

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 131

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aromatic Ketones

SpringerMaterials PropertiesChemical shift

Vapor Pressure0.00748 [mmHg]

Physical DescriptionWhite crystalline powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 90 · 90-95 °C(lit.)
끓는 점: 296 °C · 296 °C(lit.)
밀도: 1.1 g/mL · 1.1 g/mL at 25 °C(lit.)
증기압: 0.022 Pa · 0.022Pa at 25℃
굴절률: 1 · 1,534
인화점: 296 °C · 296°C
저장 조건: Inert atmosphere,Room Temperature
용해도: 22 g/L · 22g/L
물리적 상태: 결정성 분말
산도 계수 (pKa): 9.19 · 9.19(at 25℃)
색상: 베이지 브라운
수용성: 알코올에 용해됩니다. 물에 불용성.
BRN: 2040676 · 2040676
InChI: 1S/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H3
InChIKey: LUJMEECXHPYQOF-UHFFFAOYSA-N
SMILES: CC(=O)c1cccc(O)c1
LogP: 1.144 at · 1.144 at 25℃
NIST: 1 · Ethanone, 1-(3-hydroxyphenyl)-(121-71-1)
EPA: 1 · Ethanone, 1-(3-hydroxyphenyl)- (121-71-1)

화학적 성질

beige-brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (27.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 156 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 22-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/18625

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Acetophenone.

Hazard Classes and CategoriesAcute Tox. 4 (27.6%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29143990
risk_code: 22-36/37/38
hazard_code: Xn,Xi
safety_code: 22-24/25-37/39-26-36
위험 참고 사항: Harmful/Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationEthanone, 1-(3-hydroxyphenyl)-: ACTIVE

응용 분야 · 3건

개요3’-Hydroxyacetophenone is a chemical compound and it is a component of castoreum, the exudate from the castor sacs of the mature beaver. It is used in the synthesis and preparation of chalcones and flavonoids as anti-tuberculosis agents, as well as antileishmanial chaocones.

용도3’Hydroxyacetophenone is a chemical reagent used in the synthesis and preparation of chalcones and flavonoids as anti-tuberculosis agents, as well as antileishmanial chaocones.

일반 설명3′-Hydroxyacetophenone is an hydroxy-substituted alkyl phenyl ketone.

제조 방법

Preparation by diazotization of 3-aminoacetophenone, followed by hydrolysis of the obtained diazonium salt (78–82%).

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

연결된 노트

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3-Hydroxyacetophenone

기본 정보

개요