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

概要

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is a member of the class of fluorenes that is 9H-fluorene in which both of the hydrogens at position 9 have been replaced by p-hydroxyphenyl groups.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

名称と識別子

優先名称: 9,9-Bis(4-hydroxyphenyl)fluorene
IUPAC: 4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol
現地名: 9,9-ビス(4-ヒドロキシフェニル)フルオレン
英語名: 9,9-Bis(4-hydroxyphenyl)fluorene
分子式: C25H18O2
分子量: 350.41

名称と別名

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

名称をさらに表示

9,9-ビス(4-ヒドロキシフェニル)フルオレン4,4'-(9H-フルオレン-9-イリデン)ビスフェノール4,4'-(9H-フルオレン-9-イリデン)ビス(フェノール)4,4'-(9H-フルオレン-9,9-ジイル)ビスフェノール4,4'-(9H-フルオレン-9,9-ジイル)ジフェノール4,4'-(9H-フルオレン-9,9-ジイル)ビス(フェノール)9,9-ビス(4-ヒドロキシフェニル)-9H-フルオレンフルオレン-9-ビスフェノル9,9-ビス(4-ヒドロキシフェニル)フルオレンビスフェノール-9-フルオレン9,9-ビス(4-ヒドロキシフェニル)フルオレン (昇華精製品)4,4'-(9-フルオレニリデン)ジフェノール4,4'-(9-フルオレニリデン)ジフェノール (昇華精製品)4,4′-(9-フルオレニリデン)ジフェノール4,4′-(9H-フルオレン-9,9-ジイル)ジフェノール4,4′-(9H-フルオレン-9,9-ジイル)ビスフェノールフルオレン-9-ビスフェノール4,4′-(9H-フルオレン-9,9-ジイル)ビス(フェノール)4-[9-(4-ヒドロキシフェニル)-9H-フルオレン-9-イル]フェノール4,4′-(9H-フルオレン-9-イリデン)ジフェノール4,4′-(9H-フルオレン-9-イリデン)ビス(フェノール)BPFBPFLBISPHENOLFLUORENEfluorene-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

データベース識別子

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

物性

構造計算による物性

XLogP: 6
極性表面積: 40.5 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 27
形式電荷: 0
複雑度: 454

実験および物理化学的性質

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]

物理化学的性質

融点: 224 · 224-226 °C (lit.)
沸点: 526.4 · 526.4±50.0 °C(Predicted)
比重(密度): 1.288 · 1.288±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
水溶解度: Insoluble in water
酸解離定数(Pka): 9.58 · 9.58±0.30(Predicted)
外見: solid
色: White to Almost white
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
CAS データベース: 3236 · 3236-71-3(CAS DataBase Reference)
EPAの化学物質情報: 4 · Phenol, 4,4'-(9H-fluoren-9-ylidene)bis- (3236-71-3)

化学的性質

化学的特性White to tan powder or crystal or chunks

安全と法規制

GHS分類

GHS Classification · 6 件

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)

危険有害性情報

Regulatory Information · 2 件

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 · 4 件

Skin Irrit. 2 (100%)

Eye irritation - category 2

Skin Irrit. 2

安全データ

wgk: 2
tsca: TSCA listed
ridadr: UN 3077 9/PG 3
hs_code: 38220000
risk_code: 36/38-50/53-36/37/38
化審法: (4)-1620
hazard_code: Xi,N
safety_code: 26-37-60-61-37/39
hazard_class: IRRITANT
packing_group: III
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

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

応用分野 · 3 件

用途有機合成原料。

使用9,9-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.

一般的な説明Bisphenol 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.