메틸4'-메틸비페닐-4-카르복실레이트

[1,1'-Biphenyl]-4-carboxylic acid, 4'-methyl-, methyl ester

HCID 170805CAS 49742-56-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1ccc(-c2ccc(C)cc2)cc1
InChIKey: NSUWJKRQGXBISO-UHFFFAOYSA-N
분자식: C15H14O2
평균 분자량: 226.27 g/mol
단동위원소 질량: 226.09937969

이름 및 식별자

우선 이름: [1,1'-Biphenyl]-4-carboxylic acid, 4'-methyl-, methyl ester
IUPAC: methyl 4-(4-methylphenyl)benzoate
현지명: 메틸4'-메틸비페닐-4-카르복실레이트
영어명: Methyl 4'-methylbiphenyl-4-carboxylate
분자식: C15H14O2
분자량: 226.27

이름 및 동의어

49742-56-5methyl 4'-methyl-[1,1'-biphenyl]-4-carboxylate[1,1'-Biphenyl]-4-carboxylic acid, 4'-methyl-, methyl esterEINECS 256-454-7DTXSID1068512Methyl 4'-methyl-(1,1'-biphenyl)-4-carboxylate(1,1'-Biphenyl)-4-carboxylic acid, 4'-methyl-, methyl esterRefChem:68068DTXCID3040728methyl 4'-methylbiphenyl-4-carboxylatemethyl 4-(4-methylphenyl)benzoateMethyl 4'-methyl[1,1'-biphenyl]-4-carboxylate

이름 더 보기

메틸4'-메틸비페닐-4-카르복실레이트Methyl4'-methylbiphenyl-4-carboxylate,95%4'-Methyl-4'-Methyl Biphenyl Carboxylic Acid4'-Methyl-4-biphenylcarboxylic acid methyl ester[1,1-BIPHENYL]-4-CARBOXYLIC ACID, 4-METHYL-, METHYL ESTERMethyl 4-(p-tolyl)benzoate, 4-(Methoxycarbonyl)-4'-methylbiphenyl, 4-[4-(Methoxycarbonyl)phenyl]toluene

4'-Methyl-biphenyl-4-carboxylic acid methyl esterMFCD05979484Methyl 4-(p-tolyl)benzoateMethyl 4'-methyl(1,1'-biphenyl)-4-carboxylateMethyl4'-methylbiphenyl-4-carboxylate4-(4-Methylphenyl)benzoic acid methyl ester4'-Methylbiphenyl-4-carboxylic acid methyl esterSCHEMBL2275652

데이터베이스 식별자

CAS: 49742-56-5
PubChem CID: 170805
DTXSID: DTXSID1068512
EC Number: 256-454-7
Nikkaji: J21.990H

물성

구조 계산 물성

XLogP: 4.3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 246

물리화학적 성질

녹는점: 115 · 115-116 °C
끓는 점: 350.1 · 350.1±21.0 °C(Predicted)
밀도: 1.083 · 1.083
물리적 상태: 가루
색상: 하얀색
EPA: 1 · [1,1'-Biphenyl]-4-carboxylic acid, 4'-methyl-, methyl ester (49742-56-5)

안전 및 규제

안전 데이터

tsca: TSCA listed
HS 번호: 2916399090

화학 및 산업

용도 및 제조

General Manufacturing Information[1,1'-Biphenyl]-4-carboxylic acid, 4'-methyl-, methyl ester: ACTIVE

응용 분야

용도Methyl 4''-Methylbiphenyl-4-carboxylate is used in the preparation of ionic compound-supported palladium complex as catalyst for suzuki-Miyaura coupling of aryl halides.

공급사22 곳

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