에틸4'-HYDROXY-4-BIPHENYLCARBOXYLATE

Ethyl 4'-hydroxy-4-biphenylcarboxylate

HCID 4049156

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 50670-76-3
표준 SMILES: CCOC(=O)c1ccc(-c2ccc(O)cc2)cc1
InChIKey: FYXQIMAAEMCZLV-UHFFFAOYSA-N
분자식: C15H14O3
평균 분자량: 242.27 g/mol
단동위원소 질량: 242.09429431

이름 및 식별자

우선 이름: Ethyl 4'-hydroxy-4-biphenylcarboxylate
IUPAC: ethyl 4-(4-hydroxyphenyl)benzoate
현지명: 에틸4'-HYDROXY-4-BIPHENYLCARBOXYLATE
영어명: Ethyl 4'-hydroxy-4-biphenylcarboxylate
분자식: C15H14O3
분자량: 242.27

이름 및 동의어

Ethyl 4'-hydroxy-4-biphenylcarboxylateRefChem:595088626-818-350670-76-3Ethyl 4'-hydroxy-[1,1'-biphenyl]-4-carboxylateEthyl 4-(4-hydroxyphenyl)benzoateethyl 4'-hydroxy[1,1'-biphenyl]-4-carboxylateMFCD07809563G4LZS45VEEethyl 4'-hydroxybiphenyl-4-carboxylateDTXSID403987714-(4-hydroxyphenyl)benzoate ethylester

이름 더 보기

에틸4'-HYDROXY-4-BIPHENYLCARBOXYLATEEthyl 4′-hydroxy-4-biphenylcarboxylate4'-Hydroxy-biphenyl-4-carboxylicacidethylester4Hydroxy-4-biphenyl-4-carboxylic acid ethyl ester

SS-3068SY100632[1,1'-Biphenyl]-4-carboxylic acid, 4'-hydroxy-, ethyl esterW13062Ethyl 4'-hydroxy(1,1'-biphenyl)-4-carboxylate4'-hydroxy-[1,1'-biphenyl]-4-carboxylic acid, ethyl ester4-(4-Ethoxycarbonylphenyl)phenol4'-Hydroxy-(1,1'-biphenyl)-4-carboxylic acid ethyl ester

데이터베이스 식별자

CAS: 50670-76-3
PubChem CID: 4049156
DTXSID: DTXSID40398771
UNII: G4LZS45VEE
EC Number: 626-818-3
Nikkaji: J1.260.706G

물성

구조 계산 물성

XLogP: 4.1
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 261

물리화학적 성질

녹는점: 142 · 142-144 °C (dec.)(lit.)
끓는 점: 392 · 392.0±25.0 °C(Predicted)
밀도: 1.167 · 1.167±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 9.56 · 9.56±0.26(Predicted)
물리적 상태: Solid
색상: White to light yellow
주요 응용: 진단 검사 제조혈액학조직학
InChI: 1S/C15H14O3/c1-2-18-15(17)13-5-3-11(4-6-13)12-7-9-14(16)10-8-12/h3-10,16H,2H2,1H3
InChIKey: FYXQIMAAEMCZLV-UHFFFAOYSA-N
SMILES: CCOC(=O)c1ccc(cc1)-c2ccc(O)cc2

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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.