메틸4'-메틸비페닐-2-카르복실레이트
(1,1'-Biphenyl)-2-carboxylic acid, 4'-methyl-, methyl ester
기본 정보
- CAS
114772-34-8- 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 Ų
- 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
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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.
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