4-氟苯酚 (HCID 9732)

概述

4-fluorophenol is a fluorophenol that is phenol in which the hydrogen para- to the hydroxy group has been replaced by a fluorine. It is a fluorophenol and a member of monofluorobenzenes.

名称与标识

首选名称: 4-Fluorophenol
IUPAC: 4-fluorophenol
中文名: 4-氟苯酚
英文名: 4-Fluorophenol
分子式: C6H5FO
分子量: 112.1

名称与别名

4-FLUOROPHENOL371-41-5p-FluorophenolPhenol, 4-fluoro-Phenol, p-fluoro-K6DT6TR5E5NSC-10295DTXSID0052047CHEBI:42533RefChem:99038DTXCID5030614206-736-0

展开更多名称

氟苯酚4-氟酚对氟苯酚对氟代苯酚4-氟苯酚对羟基氟苯14-氟苯酚对三氟基苯酚奈必洛尔杂质39马昔巴特杂质15FluorophenolFPO4-F-PhOHp-Fluorohenol4-Fluorphenolp-FluorphenolP-flrorophenol4-fluoro-pheno

MFCD000023164-Fluoro-phenolPARA-FLUOROPHENOLFPNCCRIS 665EINECS 206-736-0NSC 10295BRN 1362752

数据库标识

CAS: 371-41-5
PubChem CID: 9732
DTXSID: DTXSID0052047
ChEMBL: CHEMBL56226
ChEBI: CHEBI:42533
UNII: K6DT6TR5E5
EC Number: 206-736-0
Nikkaji: J34.560A

性质

结构计算性质

XLogP: 1.8
极性表面积: 20.2 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 0
重原子: 8
形式电荷: 0
复杂度: 66.9

实验与物化性质

Chemical ClassesOther Classes -> Phenols

PFASPFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP1.71

Vapor Pressure1.19 [mmHg]

Physical DescriptionWhite crystalline solid with an odor like phenol; [Alfa Aesar MSDS]

物理化学性质

熔点: 43 · 43-46 °C (lit.)
沸点: 185 °C · 185 °C (lit.)
密度: 1.22 · 1.22
闪点: 155 °F · 155 °F
储存条件: Keep in dark place,Sealed in dry,Room Temperature
溶解度: 80 g/l · 80g/l
酸度系数(pKa): 9.89 · 9.89(at 25℃)
形态: Crystalline Solid
颜色: Yellow-beige to pink
PH值: 5.4 · 5.4 (H2O, 20℃)(saturated aqueous solution)
水溶解性: 50 g/L · 50 g/L
BRN: 1362752 · 1362752
Henry's Law Constant: 1.4 · 1.4×101 mol/(m3Pa) at 25℃, Abraham et al. (1994)
稳定性: Stable. Flammable. Incompatible with strong oxidizing agents.
InChI: 1S/C6H5FO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKey: RHMPLDJJXGPMEX-UHFFFAOYSA-N
SMILES: Oc1ccc(F)cc1
解离常数: 0 at · 0 at 27℃
CAS 数据库: 371 · 371-41-5(CAS DataBase Reference)
NIST化学物质信息: 4 · Phenol, 4-fluoro-(371-41-5)
EPA化学物质信息: 4 · Phenol, 4-fluoro- (371-41-5)

化学性质

结晶。溶点46-48℃，沸点185℃，闪点68℃。

安全与法规

GHS分类

GHS Classification · 4 条

Danger

H302 (98.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 112 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Regulatory Information · 3 条

Chemical: Phenol, 4-fluoro-

Status: Active Update: 23-09-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/12102

4-Fluorophenol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntraperitoneal LD50 (mouse) = 312 mg/kg; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion and skin absorption; [Alfa Aesar MSDS] See Phenol. See p-Iodoophenol.

Hazard Classes and CategoriesAcute Tox. 4 (98.2%)

毒理信息

Adverse EffectsDermatotoxin - Skin burns.

安全数据

F: 10-23
wgk: 1
tsca: TSCA listed
RTECS号: SL4550000
hazard_note: Corrosive/Harmful
包装类别: III
危险等级: 6.1
存储类别: 11 - Combustible Solids
安全说明: 26-37/39-61-36
海关编码: 29081000
危险品标志: Xn,C,T,F+
危险性类别: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Skin Irrit. 2
危险类别码: 20/21/22-36/37/38-52/53
危险品运输编号: UN 2928 6.1/PG 2

化学与工业

药理信息

Metabolism/Metabolites4-Fluorophenol has known human metabolites that include (2S,3S,4S,5R)-6-(4-fluorophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.

用途与制造

General Manufacturing InformationPhenol, 4-fluoro-: ACTIVE

应用领域

用途4-氟苯酚是一种重要的医药和农药中间体，在医药工业上用于合成杀虫药，肠胃药以及抗病毒药物等，在农业领域里用于合成除草剂，植物生长调节剂以及在环境工程中用作除藻剂。

用途用作医药、农药及染料中间体；合成索比尼尔的中间体。

制备方法 · 1 条

合成方法在一个干燥的10毫升反应器中，将1当量的对氟苯硼酸( 122 mg , 1 mmol)、2当量的30 % H2O2 ( 227 mg , 2 mmol)和10 mg催化剂混合于3 mL水中。将所得的反应混合物在室温下搅拌反应一段时间，然后通过TLC点板监测反应进度，反应完成后将反应混合物直接用乙醚和水进行萃取，分离出有机层并用无水硫酸镁干燥，过滤除去干燥剂，滤液浓缩之后的残余物可以通过经硅胶柱色谱发进行分离纯化（用5 %醋酸乙酯溶于石油醚），通过减压旋转蒸发除去溶剂即可得到4 -氟苯酚。图 4-氟苯酚的合成方法

试剂价格

F0160 · 25G: 4-氟苯酚4-Fluorophenol — 200元
F0160 · 100G: 4-氟苯酚4-Fluorophenol — 360元

供应商50 家

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]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

关联笔记

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4-氟苯酚

基本信息

概述