2-(4-Methylphenyl)benzoic acid (HCID 81568)

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 물성

XLogP: 3.3
극성 표면적: 37.3 Å²
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

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)

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: 29163990
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 · 2건

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.