4,4'-(9-플루오렌일이덴)다이페놀
9,9-Bis(4-hydroxyphenyl)fluorene
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기본 정보
- CAS
3236-71-3- 표준 SMILES
Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1- InChIKey
YWFPGFJLYRKYJZ-UHFFFAOYSA-N- 분자식
- C25H18O2
- 평균 분자량
- 350.4 g/mol
- 단동위원소 질량
- 350.13067982
개요
9,9-bis(4-hydroxyphenyl)fluorene is a member of the class of fluorenes that is 9H-fluorene in which both of the hydrogens at position 9 have been replaced by p-hydroxyphenyl groups. It has a role as an anti-estrogen. It is a member of fluorenes and a polyphenol.
이름 및 식별자
- 우선 이름
- 9,9-Bis(4-hydroxyphenyl)fluorene
- IUPAC
- 4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol
- 현지명
- 4,4'-(9-플루오렌일이덴)다이페놀
- 영어명
- 9,9-Bis(4-hydroxyphenyl)fluorene
- 분자식
- C25H18O2
- 분자량
- 350.41
이름 및 동의어
3236-71-39,9-Bis(4-hydroxyphenyl)fluoreneFluorene-9-bisphenolPhenol, 4,4'-(9H-fluoren-9-ylidene)bis-Bisphenol fluorenone4-[9-(4-hydroxyphenyl)-9H-fluoren-9-yl]phenol9,9'-Bis(4-hydroxyphenyl)fluoreneCHEBI:1368559,9-Bis(p-hydroxyphenyl)fluoreneEC 406-950-64,4'-(9h-fluoren-9-ylidene)bisphenol9,9-bis[4-hydroxyphenyl]fluorene
이름 더 보기
4,4'-(9-플루오렌일이덴)다이페놀4,4'-(9H-플루오렌-9-일리덴)비스[페놀]4,4'-(9H-플루오렌-9-일리덴)비스페놀4,4'-(9-플루오렌일리덴)비스[페놀]4,4'-(플루오렌-9-일리덴)다이페놀4,4'-플루오렌-9-일리덴다이페놀4,4'-플루오렌-9-일리덴비스페놀9,9-비스(4-하이드록시페닐)-9H-플루오렌9,9-비스(4-하이드록시페닐)플루오렌플루오렌-비스-페놀BPFBPFLBISPHENOLFLUORENEfluorene-9-bispheno9,9-Bis(4-hydroxyphenyl)fluorene (purified by sublimation)BisP-FL4,4'-(9H-FL
4-(9-(4-hydroxyphenyl)-9H-fluoren-9-yl)phenolRefChem:548975406-950-6624-416-24,4'-(9H-fluorene-9,9-diyl)diphenol4,4'-(9-Fluorenylidene)diphenol4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenolbisphenol FL
물성
구조 계산 물성보충 중
- XLogP
- 6
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 454
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section194.8 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5037731]
물리화학적 성질
- 녹는점
- 224 · 224-226 °C (lit.)
- 끓는 점
- 526.4 · 526.4±50.0 °C(Predicted)
- 밀도
- 1.288 · 1.288±0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 수용성
- 물에 불용성
- 산도 계수 (pKa)
- 9.58 · 9.58±0.30(Predicted)
- 물리적 상태
- solid
- 색상
- 흰색에서 거의 흰색
- BRN
- 2060986 · 2060986
- Henry's Law Constant
- 8.4 · 8.4×108 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- InChI
- InChI=1S/C25H18O2/c26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-16,26-27H
- InChIKey
- YWFPGFJLYRKYJZ-UHFFFAOYSA-N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315: Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/14010
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
Eye irritation - category 2
Skin Irrit. 2
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3077 9/PG 3
- HS 번호
- 2907299090
- risk_code
- 36/38-50/53-36/37/38
- hazard_code
- Xi,N
- safety_code
- 26-37-60-61-37/39
- 포장분류
- III
- 위험 등급
- IRRITANT
- 기존화학 물질
- 97-3-106
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2
화학 및 산업
용도 및 제조
General Manufacturing InformationPhenol, 4,4'-(9H-fluoren-9-ylidene)bis-: ACTIVE
응용 분야
용도9,9-Bis (4-Hydroxyphenyl) Fluorene is used in the production of polyarylene ethers and extensively used in the study of polymer electrolyte membranes with the potential for fuel cell application.
일반 설명Bisphenol FL (BPFL) is a fluorinated derivative of bisphenol (BP), a wide group of chemicals with similar structures, recognized as environmental pollutants. Bisphenol A (BPA), and its structural analogs are widely used as plasticizers and monomers for synthetic materials, industrial and consumer products including fluorine rubber, food container linings, canned food, thermal receipts, etc.
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