双酚芴

9,9-Bis(4-hydroxyphenyl)fluorene

HCID 76716CAS 3236-71-3
子结构检索查找相似结构

基本信息

标准SMILES
Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1
InChIKey
YWFPGFJLYRKYJZ-UHFFFAOYSA-N
分子式
C25H18O2
平均分子量
350.4 g/mol
单同位素质量
350.13067982

概述

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is a member of the class of fluorenes that is 9H-fluorene in which both of the hydrogens at position 9 have been replaced by p-hydroxyphenyl groups.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

名称与标识

首选名称
9,9-Bis(4-hydroxyphenyl)fluorene
IUPAC
4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol
中文名
双酚芴
英文名
9,9-Bis(4-hydroxyphenyl)fluorene
分子式
C25H18O2
分子量
350.41

名称与别名

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
展开更多名称
双酚FL双酚芴/AR双酚芴 100G生物素标记双酚芴4-(9-芴)二苯酚9-双(4-羟苯基)芴双酚芴(>98%,BR)4,4-(9-芴)二苯酚9,9-二(4-羟苯基)芴9,9-双(4羟基苯基)芴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

数据库标识

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

性质

结构计算性质

XLogP
6
极性表面积
40.5 Ų
氢键供体
2
氢键受体
2
可旋转键
2
重原子
27

实验与物化性质

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]

物理化学性质

熔点
224 · 224-226 °C (lit.)
沸点
526.4 · 526.4±50.0 °C(Predicted)
密度
1.288 · 1.288±0.06 g/cm3(Predicted)
储存条件
Sealed in dry,Room Temperature
水溶解性
Insoluble in water
酸度系数(pKa)
9.58 · 9.58±0.30(Predicted)

安全与法规

GHS分类

GHS Classification · 6 条

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)

危害信息

Regulatory Information · 2 条

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 条

Skin Irrit. 2 (100%)

Skin Irrit. 2 (100%)

Eye irritation - category 2

Skin Irrit. 2

安全数据

wgk
2
tsca
TSCA listed
包装类别
III
危险等级
IRRITANT
存储类别
11 - Combustible Solids
安全说明
26-37-60-61-37/39

化学与工业

用途与制造

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

应用领域

用途用作有机合成中间体

用途用于合成新型聚(亚芳基醚)

制备方法 · 1 条

生产方法实施例4 9,9-双-(4-羟基苯基)-芴的合成：在高压釜中搅拌20摩尔含9重量％水的苯酚，随后加入1摩尔氯化锌和10摩尔芴酮，使其溶解。向搅拌中的混合物中通入5摩尔气态氯化氢，反应混合物于70℃下反应4小时。反应完成后，将混合物在60℃下溶解于5升异丙醇中。在剧烈搅拌下，将所得溶液倒入10倍体积的水中，析出3.4 kg的9,9-双-(4-羟基苯基)-芴，产率为97％，产品为黄色固体。参考文献：[1] Patent: US4467122, 1984, A[2] Patent: CN104693012, 2017, B. Location in patent: Paragraph 0029-0038[3] Patent: CN108570019, 2018, A. Location in patent: Paragraph 0060; 0061; 0063; 0065; 0075[4] Patent: CN107698429, 2018, A. Location in patent: Paragraph 0032; 0034

上下游产品信息

下游产品

试剂价格

B4834 · 1g
9,9-双(4-羟基苯基)芴 (升华提纯)9,9-Bis(4-hydroxyphenyl)fluorene (purified by sublimation) — 320元
B1715 · 25G
9,9-双(4-羟苯基)芴9,9-Bis(4-hydroxyphenyl)fluorene — 350元

供应商50 家

湖北瑞凯兴科技股份有限公司0086-13795397680
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

相关反应

20 条
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