메틸4'-메틸비페닐-2-카르복실레이트

(1,1'-Biphenyl)-2-carboxylic acid, 4'-methyl-, methyl ester

HCID 1393873CAS 114772-34-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1ccccc1-c1ccc(C)cc1
InChIKey: IHNIAWHITVGYJJ-UHFFFAOYSA-N
분자식: C15H14O2
평균 분자량: 226.27 g/mol
단동위원소 질량: 226.09937969

이름 및 식별자

우선 이름: (1,1'-Biphenyl)-2-carboxylic acid, 4'-methyl-, methyl ester
IUPAC: methyl 2-(4-methylphenyl)benzoate
현지명: 메틸4'-메틸비페닐-2-카르복실레이트
영어명: 4′-Methylbiphenyl-2-carboxylic acid methyl ester
분자식: C15H14O2
분자량: 226.27

이름 및 동의어

114772-34-8[1,1'-Biphenyl]-2-carboxylic acid, 4'-methyl-, methyl ester(1,1'-Biphenyl)-2-carboxylic acid, 4'-methyl-, methyl esterRefChem:391051601-324-04'-Methylbiphenyl-2-carboxylic acid methyl esterMethyl 4'-methyl-[1,1'-biphenyl]-2-carboxylateMethyl 2-(p-Tolyl)benzoateMethyl 4'-Methylbiphenyl-2-carboxylateMethyl 2-(4-Methylphenyl)benzoateTelmisartan Impurity 33MFCD03453661

이름 더 보기

메틸4'-메틸비페닐-2-카르복실레이트METHYL-4'AKOS BAR-1135-METHYL-1,1'METHYL-4'-METHYL-1RARECHEM AL BF 1359-BIPHENYL-2-CARBOXYLATEMethyl2-(p-Tolyl)benzoate>

SCHEMBL249DTXSID00362716methyl 4'-methyl[1,1'-biphenyl]-2-carboxylateCS-0196517Methyl4'-methyl-[1,1'-biphenyl]-2-carboxylatemethyl 4'-methyl-(1, 1'-biphenyl)-2-carboxylate4'-Methyl-[1,1'-biphenyl]-2-carboxylic Acid Methyl Ester; Methyl 2-(4-Methylphenyl)benzoate; Methyl 4-Methyl-2'-biphenylcarboxylate; Methyl 4'-Methylbiphenyl-2-carboxylate;2-(p-Tolyl)benzoic Acid Methyl Ester

데이터베이스 식별자

CAS: 114772-34-8
PubChem CID: 1393873
DTXSID: DTXSID00362716
UNII: 85Z4Y5ETJ9
EC Number: 601-324-0
Nikkaji: J1.006.196B

물성

구조 계산 물성

XLogP: 4.4
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: 254

물리화학적 성질

녹는점: 60 · 60-61°C
끓는 점: 359.4 · 359.4±21.0 °C(Predicted)
밀도: 1.083 · 1.083±0.06 g/cm3(Predicted)
용해도: 톨루엔에 용해됨
물리적 상태: powder to crystal
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C15H14O2/c1-11-7-9-12(10-8-11)13-5-3-4-6-14(13)15(16)17-2/h3-10H,1-2H3
InChIKey: IHNIAWHITVGYJJ-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(C)C=C2)=CC=CC=C1C(OC)=O

화학적 성질

White or almost white crystalline 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: WGK 3
HS 번호: 2916399090
risk_code: 36/37/38
safety_code: 26-36
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

개요4′-Methylbiphenyl-2-carboxylic acid methyl ester is an important pharmaceutical intermediate compound used as an organic synthetic material in the preparation of temesartan. Timosartan is an angiotensin II receptor blocker (ARB) used to treat hypertension.

용도Methyl 2-(p-Tolyl)benzoate is an intermediate in the synthesis of Telmisartan (T017000) analogs.