2-(4-Methylphenyl)benzoic acid
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기본 정보
- CAS
7148-03-0- 표준 SMILES
Cc1ccc(-c2ccccc2C(=O)O)cc1- InChIKey
ZSTUEICKYWFYIC-UHFFFAOYSA-N- 분자식
- C14H12O2
- 평균 분자량
- 212.24 g/mol
- 단동위원소 질량
- 212.08372962
이름 및 식별자
- 우선 이름
- 2-(4-Methylphenyl)benzoic acid
- IUPAC
- 2-(4-methylphenyl)benzoic acid
- 영어명
- 4'-Methylbiphenyl-2-carboxylic acid
- 분자식
- C14H12O2
- 분자량
- 212.24
이름 및 동의어
7148-03-02-(4-Methylphenyl)benzoic acid2-(p-Tolyl)benzoic Acid4'-Methyl-2-biphenylcarboxylic acid[1,1'-Biphenyl]-2-carboxylic acid, 4'-methyl-2-Biphenylcarboxylic acid, 4'-methyl-9XZ5ON5Y1PBenzoic acid, 2-(4-methylphenyl)-4'-methyl[1,1'-biphenyl]-2-carboxylic acidBiphenyl-2-carboxylic acid, 4'-methyl-EINECS 230-462-0NSC 26069
이름 더 보기
AKOS BAR-0260RARECHEM AL BO 0764o-Tolylbenzoic acid4′-Methyl-2-biphenylTelmisartan Impurity 324'-Methyl-2-carboxybiphenyl2-(4-mehtylphenyl)benzoic acid
NSC-26069(1,1'-Biphenyl)-2-carboxylic acid, 4'-methyl-DTXSID20645734'-Methyl(1,1'-biphenyl)-2-carboxylic acid4-methyl-2'-biphenylcarboxylic acid2-CARBOXY-4'-METHYLBIPHENYL4'-METHYL-2-BIPHENYLYLCARBOXYLIC ACIDRefChem:458130
데이터베이스 식별자
- CAS
7148-03-0- PubChem CID
- 81568
- DTXSID
DTXSID2064573- UNII
- 9XZ5ON5Y1P
- EC Number
- 230-462-0
- Nikkaji
- J227.398E
물성
구조 계산 물성보충 중
- XLogP
- 3.3
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 241
물리화학적 성질
- 녹는점
- 146 · 146-148°C
- 끓는 점
- 354.5 · 354.5±11.0 °C(Predicted)
- 밀도
- 1.156 · 1.156±0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- DMSO및메탄올에 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 3.9 · 3.90±0.36(Predicted)
- 색상
- 하얀색
- InChI
- InChI=1S/C14H12O2/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14(15)16/h2-9H,1H3,(H,15,16)
- InChIKey
- ZSTUEICKYWFYIC-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=C(C)C=C2)=CC=CC=C1C(O)=O
- EPA
- 1 · [1,1'-Biphenyl]-2-carboxylic acid, 4'-methyl- (7148-03-0)
화학적 성질
Light yellow solid
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)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationChemical: [1,1'-Biphenyl]-2-carboxylic acid, 4'-methyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 2916399090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing Information[1,1'-Biphenyl]-2-carboxylic acid, 4'-methyl-: INACTIVE
응용 분야
용도4’-Methylbiphenyl-2-carboxylic Acid is used in the synthesis of angiotensin II receptor antagonists used as potent orally active antihypertensives.
일반 설명4′-Methyl-2-biphenylcarboxylic acid (4′-Methyl-bi-phenyl-2-carboxyl-ic acid) can be synthesized by reacting 4′-methylbiphenyl-2-carbonitrile with methanol and 30% NaOH solution. Its crystal structure has been characterized by the centrosymmetric hydrogen-bonded dimers.
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