Methyl 4'-hydroxy(1,1'-biphenyl)-4-carboxylate

HCID 1490289

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 40501-41-5
표준 SMILES: COC(=O)c1ccc(-c2ccc(O)cc2)cc1
InChIKey: PHBQSOODLMGROT-UHFFFAOYSA-N
분자식: C14H12O3
평균 분자량: 228.24 g/mol
단동위원소 질량: 228.07864424

이름 및 식별자

우선 이름: Methyl 4'-hydroxy(1,1'-biphenyl)-4-carboxylate
IUPAC: methyl 4-(4-hydroxyphenyl)benzoate
영어명: Methyl 4'-hydroxy[1,1'-biphenyl]-4-carboxylate
분자식: C14H12O3
분자량: 228.24

이름 및 동의어

Methyl 4'-hydroxy[1,1'-biphenyl]-4-carboxylateMETHYL 4'-HYDROXY(1,1'-BIPHENYL)-4-CARBOXYLATERefChem:815654655-166-240501-41-5Methyl 4'-hydroxy-[1,1'-biphenyl]-4-carboxylatemethyl 4-(4-hydroxyphenyl)benzoate4-(4-Methoxycarbonylphenyl)phenolmethyl 4'-hydroxy-4-biphenylcarboxylateMFCD01814566methyl 4'-hydroxybiphenyl-4-carboxylateOprea1_601360

이름 더 보기

AKOS BAR-1039SALOR-INT L480711-1EAMethyl 4’-Hydroxybiphenyl-4-carboxylate4'-Hydroxy-4-biphenylcarboxylic acid methyl ester1,1'-Biphenyl]-4-carboxylic acid, 4'-hydroxy-, methyl ester

CHEMBL91056SCHEMBL4668655DTXSID90363419PHBQSOODLMGROT-UHFFFAOYSA-NQBA50141methyl 4-(4'-hydroxyphenyl)benzoateAKOS004116310METHYL 4'-HYDROXY(1,1'-BIPH

데이터베이스 식별자

CAS: 40501-41-5
PubChem CID: 1490289
DTXSID: DTXSID90363419
ChEMBL: CHEMBL91056
EC Number: 655-166-2
Nikkaji: J1.722.122A

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 248

물리화학적 성질

녹는점: 227 · 227-228 °C(Solv: acetone (67-64-1))
끓는 점: 380.2 · 380.2±25.0 °C(Predicted)
밀도: 1.194 · 1.194±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 9.55 · 9.55±0.26(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAquatic Acute 1 (100%)

안전 데이터

HS 번호: 2918290090

화학 및 산업

응용 분야

용도Methyl 4'-hydroxy[1,1'-biphenyl]-4-carboxylate is primarily used as a key intermediate in the synthesis of more complex molecules, particularly in the pharmaceutical and materials science fields.