3-Methoxyacetophenone (HCID 11460)

이름 및 식별자

우선 이름: 3-Methoxyacetophenone
IUPAC: 1-(3-methoxyphenyl)ethanone
영어명: 3-Methoxyacetophenone
분자식: C9H10O2
분자량: 150.17

이름 및 동의어

3'-Methoxyacetophenone586-37-83-Methoxyacetophenone3-Acetylanisole1-(3-METHOXYPHENYL)ETHANONEm-MethoxyacetophenoneEthanone, 1-(3-methoxyphenyl)-Acetophenone, m-methoxy-NSC 65593Acetophenone, 3'-methoxy-1K3UR56Z4NEINECS 209-573-3

이름 더 보기

Methyl 3-methoxyphenyl ketone1-[3-(METHOXY-D3)PHENYL]ETHAN-1-ONE1-(3-Methoxyphenyl)ethan-1-one, 3-AcetylanisoleM-ACETANISOLE3-ACETANISOLE

NSC-65593AI3-26011DTXSID10207321RIVASTIGMINE HYDROGEN TARTRATE IMPURITY H [EP IMPURITY]RIVASTIGMINE HYDROGEN TARTRATE IMPURITY H (EP IMPURITY)mMethoxyacetophenone3'MethoxyacetophenoneAcetophenone, mmethoxy

데이터베이스 식별자

CAS: 586-37-8
PubChem CID: 11460
DTXSID: DTXSID10207321
ChEMBL: CHEMBL5270199
UNII: 1K3UR56Z4N
EC Number: 209-573-3
Nikkaji: J90.770G

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 142

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Other Aromatic Compounds

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP1.84

Vapor Pressure0.08 [mmHg]

Physical Description · 2건

Pale yellow liquid; [Alfa Aesar MSDS]

Liquid

물리화학적 성질

녹는점: -7 °C · -7 °C
끓는 점: 239 · 239-241 °C(lit.)
밀도: 1.094 g/mL · 1.094 g/mL at 25 °C(lit.)
증기압: 2.41 · 2.41-10.665Pa at 20-25℃
굴절률: 20 · n20/D 1.542(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태: 액체
Specific Gravity: 1.094 · 1.094
색상: 약간 노란색에서 약간 갈색으로 투명함
수용성: 물에 완전히 섞임. 알코올에 용해됩니다.
BRN: 878552 · 878552
Henry's Law Constant: 1.9 · 1.9×101 mol/(m3Pa) at 25℃, Ji et al. (2008)
InChI: 1S/C9H10O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6H,1-2H3
InChIKey: BAYUSCHCCGXLAY-UHFFFAOYSA-N
SMILES: COc1cccc(c1)C(C)=O
LogP: 1.86 · 1.86-2.085 at 20-25℃
NIST: 1 · Ethanone, 1-(3-methoxyphenyl)-(586-37-8)

화학적 성질

clear slightly yellow to slightly brown liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 60% (12 of 20) of all reports.

Warning

H302 (35%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, 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 20 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 17-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17382

Ethanone, 1-(3-methoxyphenyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Anisole and Acetophenone. See 4-Acetylanisole.

Hazard Classes and CategoriesAcute Tox. 4 (35%)

안전 데이터

wgk: 3
HS 번호: 29145000
risk_code: 36/38-22-36/37/38
hazard_code: Xn,Xi
safety_code: 23-24/25-37/39-26-36
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Skin Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도It is applied in the asymmetric transfer hydrogenation of ketones catalyzed by ruthenium(II) complexes.

상·하류 제품 정보

상류 원료

Benzene, 1-methoxy-3-(1-methylethenyl)-3-Methoxyphenylboronic acid 3-에티닐라니솔96 3'-Methoxyphenacyl bromide 아세토바닐론 3-브로모아니졸

하류 제품

2-페닐벤족사졸 2'-Hydroxy-5'-methoxyacetophenone 2-(3-메톡시페닐)퀴놀린-4-카르복실산 3'-Methoxy-3-(4-methylphenyl)propiophenone 5-(3-Methoxyphenyl)-5-methylimidazolidine-2,4-dione (2E)-1-(3-methoxyphenyl)-3-(thiophen-2-yl)prop-2-en-1-one 2-(3-메톡시페닐)-8-메틸퀴놀린-4-카복실산

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]

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]

北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

연결된 노트

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3-Methoxyacetophenone

기본 정보