4'-Fluoro-2'-methoxy-5'-(1-methylethyl)-4-(trifluoromethyl)(1,1'-biphenyl)-2-methanol

HCID 53363828

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 875548-97-3
표준 SMILES: COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CO
InChIKey: XSZIJSCGSTXKKI-UHFFFAOYSA-N
분자식: C18H18F4O2
평균 분자량: 342.3 g/mol
단동위원소 질량: 342.12429246

이름 및 식별자

우선 이름: 4'-Fluoro-2'-methoxy-5'-(1-methylethyl)-4-(trifluoromethyl)(1,1'-biphenyl)-2-methanol
IUPAC: [2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methanol
영어명: 4'-Fluoro-2'-methoxy-5'-isopropyl-4-trifluoromethyl-1,1'-biphenyl-2-methanol
분자식: C18H18F4O2
분자량: 342.33

이름 및 동의어

875548-97-34'-Fluoro-2'-methoxy-5'-(1-methylethyl)-4-(trifluoromethyl)(1,1'-biphenyl)-2-methanol4'-Fluoro-2'-methoxy-5'-(1-methylethyl)-4-(trifluoromethyl)[1,1'-biphenyl]-2-methanolRefChem:283421(4'-FLUORO-5'-ISOPROPYL-2'-METHOXY-4-TRIFLUOROMETHYL-BIPHENYL-2-YL)METHANOL{2-[4-fluoro-2-methoxy-5-(propan-2-yl)phenyl]-5-(trifluoromethyl)phenyl}methanolMFCD162941844'-FLUORO-2'-METHOXY-5'-ISOPROPYL-4-TRIFLUOROMETHYL-1,1'-BIPHENYL-2-METHANOL[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methanol(4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)-[1,1'-biphenyl]-2-yl)methanol[4'-fluoro-2'-methoxy-5'-(propan-2-yl)-4-(trifluoromethyl)-[1,1'-biphenyl]-2-yl]methanol4'-Fluoro-2'-methoxy-5'-(1-methylethyl)-4-(trifluoromethyl)-[1,1'-biphenyl]-2-methanol

이름 더 보기

Anacetrapib Intermediate 54'-FLUORO-2'-METHOXY-5'-ISOPROPYL-4-TRIFLUOROMETHYL-1,1'-BIP...4’-Fluoro-5’-isopropyl-2’-methoxy-4-(trifluoromethyl)-2-biphenylyl]methanol(4'-fluoro-5'-isopropyl-2'-Methoxy-4-(trifluoroMethyl)biphenyl-2-yl)Methanol[1,1'-Biphenyl]-2-Methanol, 4'-fluoro-2'-Methoxy-5'-(1-Methylethyl)-4-(trifluoroMethyl)-

ETM5V37JXJSCHEMBL531582SCHEMBL29786762C18H18F4O2DTXSID301128094AKOS025403895PB15219AC-31128

데이터베이스 식별자

CAS: 875548-97-3
PubChem CID: 53363828
DTXSID: DTXSID301128094
UNII: ETM5V37JXJ
EC Number: 635-850-7
Nikkaji: J2.940.837H

물성

구조 계산 물성

XLogP: 4.7
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 4
무거운 원자 수: 24
형식 전하: 0
복잡도: 399

물리화학적 성질

끓는 점: 364.5 · 364.5±42.0 °C(Predicted)
밀도: 1.221 · 1.221±0.06 g/cm3 (20 ºC 760 Torr)
저장 조건: Store at Room Tem.
산도 계수 (pKa): 14.01 · 14.01±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P264+P265, P273, P280, P305+P354+P338, P317, 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. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.