9,9-Bis(4-hydroxyphenyl)fluorene (HCID 76716)

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is a member of the class of fluorenes that is 9H-fluorene in which both of the hydrogens at position 9 have been replaced by p-hydroxyphenyl groups.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

데이터베이스 식별자

CAS: 3236-71-3
PubChem CID: 76716
DTXSID: DTXSID5037731
ChEMBL: CHEMBL434829
ChEBI: CHEBI:136855
UNII: Q3VX5H3K3X
EC Number: 406-950-6、624-416-2
Nikkaji: J111.264C

물성

구조 계산 물성

XLogP: 6
극성 표면적: 40.5 Å²
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 Å² [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
SMILES: C1(C2=CC=C(O)C=C2)(C2=CC=C(O)C=C2)C2=C(C=CC=C2)C2=C1C=CC=C2
EPA: 4 · Phenol, 4,4'-(9H-fluoren-9-ylidene)bis- (3236-71-3)

화학적 성질

White to tan powder or crystal or chunks

안전 및 규제

GHS 분류

GHS Classification · 6건

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 · 2건

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 · 4건

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: 38220000
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
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationPhenol, 4,4'-(9H-fluoren-9-ylidene)bis-: ACTIVE

응용 분야 · 2건

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.