비스크레졸플루오렌

4,4'-(9H-Fluorene-9,9-diyl)bis(2-methylphenol)

HCID 11014345

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 88938-12-9
표준 SMILES: Cc1cc(C2(c3ccc(O)c(C)c3)c3ccccc3-c3ccccc32)ccc1O
InChIKey: NUDSREQIJYWLRA-UHFFFAOYSA-N
분자식: C27H22O2
평균 분자량: 378.5 g/mol
단동위원소 질량: 378.16197994

이름 및 식별자

우선 이름: 4,4'-(9H-Fluorene-9,9-diyl)bis(2-methylphenol)
IUPAC: 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol
현지명: 비스크레졸플루오렌
영어명: 9,9-Bis(4-hydroxy-3-methylphenyl)fluorene
분자식: C27H22O2
분자량: 378.46

이름 및 동의어

88938-12-94,4'-(9H-Fluorene-9,9-diyl)bis(2-methylphenol)DTXSID50451942RefChem:1069240DTXCID404027619,9-Bis(4-hydroxy-3-methylphenyl)fluorene9,9-bis(3-methyl-4-hydroxyphenyl)fluoreneMFCD040380464-[9-(4-HYDROXY-3-METHYLPHENYL)FLUOREN-9-YL]-2-METHYLPHENOLC27H22O29,9-Bis (3-methyl-4-hydroxy phenyl) FluoreneBiscresolfluorene

이름 더 보기

비스크레졸플루오렌9,9-bis(3-methyl-4-nydroxyphenyl)fluorene9,9-Bis(4'-hydroxy-3'-methylphenyl)fluorene9,9-Bis(4-hydroxy-3-methylphenyl)fluorene >4,4’-(9H-fluoren-9-ylidene)bis[2-methyl-Phenol9,9-Bis(3-methy-4-hydroxylphenyl)fluorene (BCF)Phenol, 4,4'-(9H-fluoren-9-ylidene)bis[2-methyl-

BDBM176758US9688816, I4-[9-(4-hydroxy-3-methylphenyl)-9-fluorenyl]-2-methylphenol4,4'-(9-Fluorenylidene)di(o-cresol)Fluorenone Bis-o-Cresol4-[9-(4-hydroxy-3-methyl-phenyl)fluoren-9-yl]-2-methyl-phenolFT-07692414,4'-(9-Fluorenylidene)-di-o-cresoll-9,9-bis(3-methyl-4-hydroxyphenyl)fluorene

데이터베이스 식별자

CAS: 88938-12-9
PubChem CID: 11014345
DTXSID: DTXSID50451942
ChEMBL: CHEMBL5984335
Nikkaji: J1.517.548F

물성

구조 계산 물성

XLogP: 6.7
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 29
형식 전하: 0
복잡도: 523

물리화학적 성질

녹는점: 218 · 218-219°C
끓는 점: 533.4 · 533.4±50.0 °C(Predicted)
밀도: 1.242 · 1.242±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
수용성: 물에 불용성
물리적 상태: powder to crystal
산도 계수 (pKa): 9.97 · 9.97±0.35(Predicted)
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C27H22O2/c1-17-15-19(11-13-25(17)28)27(20-12-14-26(29)18(2)16-20)23-9-5-3-7-21(23)22-8-4-6-10-24(22)27/h3-16,28-29H,1-2H3
InChIKey: NUDSREQIJYWLRA-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(O)C(C)=C2)(C2=CC=C(O)C(C)=C2)C2=C(C=CC=C2)C2=C1C=CC=C2

안전 및 규제

안전 데이터

HS 번호: 2907.29.9000
risk_code: 37
hazard_code: Xi
safety_code: 26-36
기존화학 물질: 2009-3-3871

화학 및 산업

응용 분야 · 2건

개요9,9-Bis(4-hydroxy-3-methylphenyl)fluorene (also known as Biscresolfluorene) is an important chemical reagent that can be used as a host compound for preparing inclusion complexes. It tightly binds volatile guests while loosely binding non-volatile guests.

용도Biscresolfluorene is used as functional material intermediatesused as functional material intermediates.

상·하류 제품 정보

상류 원료

9-플루오레논 O-크레졸

공급사100 곳

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