2-(3-Methoxyphenyl)cyclohexanone

HCID 85868CAS 15547-89-4

기본 정보

표준 SMILES: COc1cccc(C2CCCCC2=O)c1
InChIKey: KACQSVYTBQDRGP-UHFFFAOYSA-N
분자식: C13H16O2
평균 분자량: 204.26 g/mol
단동위원소 질량: 204.11502975

이름 및 식별자

우선 이름: 2-(3-Methoxyphenyl)cyclohexanone
IUPAC: 2-(3-methoxyphenyl)cyclohexan-1-one
영어명: 2-(3-Methoxyphenyl)cyclohexanone
분자식: C13H16O2
분자량: 204.26

이름 및 동의어

2-(3-Methoxyphenyl)cyclohexanone15547-89-4RefChem:1061098239-602-52-(3-methoxyphenyl)cyclohexan-1-oneCyclohexanone, 2-(3-methoxyphenyl)-MFCD000016302-(3-methoxy-phenyl)-cyclohexanoneEINECS 239-602-5SCHEMBL182434DTXSID608744412-(3-methoxyphenyl)-cyclohexanone

이름 더 보기

2-(3-METHOXYPHENYL)CYCLOHEXANON(2S)-2-(3-methoxyphenyl)-1-cyclohexanone2-(3-Methoxyphenyl)cyclohexanone,90%,tech.2-(3-Methoxyphenyl)cyclohexanone, tech.,90%2-(3-METHOXYPHENYL)CYCLOHEXANONE, TECH., 90%2-(3-Methoxyphenyl)cyclohexanone technical grade, 90%

2-(3-Methoxyphenyl) cyclohexanoneAKOS0091589712-(3-methoxyphenyl)-cyclohexan-1-oneCYCLOHEXANONE,2-(M-METHOXYPHENYL)DB-019418CS-0303083NS00052608ST50308634

데이터베이스 식별자

CAS: 15547-89-4
PubChem CID: 85868
DTXSID: DTXSID60874441
EC Number: 239-602-5
Nikkaji: J317.906K

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 225

물리화학적 성질

끓는 점: 140 · 140-142°C 0,2mm
밀도: 1.1 g/mL · 1.1 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.546(lit.)
인화점: 230 °F · >230 °F
물리적 상태: liquid
InChI: 1S/C13H16O2/c1-15-11-6-4-5-10(9-11)12-7-2-3-8-13(12)14/h4-6,9,12H,2-3,7-8H2,1H3
InChIKey: KACQSVYTBQDRGP-UHFFFAOYSA-N
SMILES: COc1cccc(c1)C2CCCCC2=O
EPA: 2 · 2-(3-Methoxyphenyl)cyclohexanone (15547-89-4)

화학적 성질

clear colorless liquid

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 29145000
safety_code: 24/25
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도2-(3-Methoxyphenyl)cyclohexanone may be used as starting reagent for the synthesis of octahydrophenanthrene, an important intermediate in the synthesis of morphinans. It may be used in the synthesis of 2-methyl-5-phenyl morphan.

일반 설명2-(3-Methoxyphenyl)cyclohexanone is an aromatic ketone. It is a clear, colorless liquid. 2-(3-Methoxyphenyl)cyclohexanone is reported to participate in the synthesis of 9-azamorphinan.

상·하류 제품 정보

상류 원료

Lithium, (3-methoxyphenyl)-3-Methoxyphenylmagnesium bromide 클로로시클로헥사논(2-)1-Nitro-1-cyclohexene 2-Chloroanisole 1-Cyclohexenyloxytrimethylsilane 3-Iodoanisole 2,2,6,6-테트라메틸피페리딘 사이클로헥센옥사이드 3-브로모아니졸 사이클로헥사논

공급사27 곳

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

广东百科试剂有限公司13532366769 13686183698 · [email protected]

阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]

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