4'-Methyl-biphenyl-3-carboxylic acid

HCID 2773978

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 147404-69-1
표준 SMILES: Cc1ccc(-c2cccc(C(=O)O)c2)cc1
InChIKey: APYJGQZXCGXMGB-UHFFFAOYSA-N
분자식: C14H12O2
평균 분자량: 212.24 g/mol
단동위원소 질량: 212.08372962

이름 및 식별자

우선 이름: 4'-Methyl-biphenyl-3-carboxylic acid
IUPAC: 3-(4-methylphenyl)benzoic acid
영어명: 4'-Methylbiphenyl-3-carboxylic acid
분자식: C14H12O2
분자량: 212.24

이름 및 동의어

4'-Methyl-biphenyl-3-carboxylic acidRefChem:506202672-103-4147404-69-14'-Methylbiphenyl-3-carboxylic acid4'-Methyl-[1,1'-biphenyl]-3-carboxylic acid3-(4-methylphenyl)benzoic AcidMFCD00452725[1,1'-Biphenyl]-3-carboxylic acid, 4'-methyl-4/'-METHYLBIPHENYL-3-CARBOXYLIC ACID4'-methyl-3-biphenylcarboxylic acid3-(p-Tolyl)benzoic acid

이름 더 보기

AKOS BAR-0001CHEMBRDG-BB 4400410RARECHEM AL BE 13483-(4-Tolyl)benzoic acid3-(4-methylphenyl)benzoate4'-Methyl-3-biphenylboronic Acid

SCHEMBL121436CHEMBL2089278DTXSID40378811APYJGQZXCGXMGB-UHFFFAOYSA-NSBB053448AKOS002679748AS-2068SY346104

데이터베이스 식별자

CAS: 147404-69-1
PubChem CID: 2773978
DTXSID: DTXSID40378811
ChEMBL: CHEMBL2089278
EC Number: 672-103-4
Nikkaji: J3.331.826J

물성

구조 계산 물성

XLogP: 4
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

끓는 점: 399.4 · 399.4±21.0 °C(Predicted)
밀도: 1.156 · 1.156±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 4.14 · 4.14±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.