4,4'-二氟二苯甲酮 (HCID 9582)

概述

structure given in first source; a metabolite of flunarizine

名称与标识

首选名称: 4,4'-Difluorobenzophenone
IUPAC: bis(4-fluorophenyl)methanone
中文名: 4,4'-二氟二苯甲酮
英文名: Bis(4-fluorophenyl)-methanone
分子式: C13H8F2O
分子量: 218.2

名称与别名

4,4'-Difluorobenzophenone345-92-688BNC11B9CNSC-51800DTXSID30188062RefChem:96245M-3-DFBPDTXCID60110553206-466-3Bis(4-fluorophenyl)methanonebis(4-fluorophenyl)-methanoneMethanone, bis(4-fluorophenyl)-

展开更多名称

二氟二酮氟桂嗪杂质7-二氟二苯甲酮氟桂利嗪杂质104,4'-二氟苯酮4'4-二氟二苯甲酮4,4'-二氟苯甲酮4,4'-二氟二苯酮4,4’-二氟二苯甲酮4,4'-二氟二苯甲酮4,4-DIFLUOROBENZOPHENONEBDFDifluorobenzophenone4,4’-difluoro-benzophenonBis(4-fluorophenyl)-4,4' -difluorophenonep-Fluorophenyl ketone-Difluorobenzophenone

Di-p-fluorophenyl ketonep,p'-DifluorobenzophenoneBis(4-fluorophenyl) ketoneMFCD00000353Bis(p-fluorophenyl) ketoneNSC 51800BENZOPHENONE, 4,4'-DIFLUORO-Flunarizine Impurity 7

数据库标识

CAS: 345-92-6
PubChem CID: 9582
DTXSID: DTXSID30188062
UNII: 88BNC11B9C
EC Number: 206-466-3
Nikkaji: J42.003D

性质

结构计算性质

XLogP: 3.8
极性表面积: 17.1 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 2
重原子: 16
形式电荷: 0
复杂度: 214

实验与物化性质

Chemical ClassesOther Classes -> Benzophenones

PFAS · 2 条

PFAS -> Other/unspecified

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

SpringerMaterials PropertiesDensity

Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)

Physical DescriptionWhite crystalline powder; [Alfa Aesar MSDS]

物理化学性质

熔点: 102 · 102-105 °C (lit.)
沸点: 137 °C · 137°C (3 torr)
密度: 1.2543 · 1.2543 (estimate)
蒸气压: 0.005 Pa · 0.005Pa at 20℃
闪点: 170 · 170-172°C/10mm
储存条件: Sealed in dry,Room Temperature
溶解度: Insoluble in water
形态: Crystalline Powder
颜色: White to slightly yellow
水溶解性: 8.757 mg/L · 8.757mg/L at 20℃
BRN: 516231 · 516231
InChI: 1S/C13H8F2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
InChIKey: LSQARZALBDFYQZ-UHFFFAOYSA-N
SMILES: Fc1ccc(cc1)C(=O)c2ccc(F)cc2
LogP: 3.37 at · 3.37 at 20℃
CAS 数据库: 345 · 345-92-6(CAS DataBase Reference)
NIST化学物质信息: 4 · 4,4'-Difluorobenzophenone(345-92-6)
EPA化学物质信息: 4 · 4,4'-Difluorobenzophenone (345-92-6)

化学性质

白色结晶粉末

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H302 (73.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 79 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Regulatory Information · 5 条

Chemical: Methanone, bis(4-fluorophenyl)-

Methanone, bis(4-fluorophenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methanone, bis(4-fluorophenyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 27-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5154

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

Hazards SummaryIntravenous LD50 (mouse) = 56 mg/kg; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (73.4%)

安全数据

wgk: 3
tsca: TSCA listed
RTECS号: DJ0685000
危险等级: IRRITANT
存储类别: 13 - Non Combustible Solids
安全说明: 26-37/39-36-61
海关编码: 29143990
危险品标志: Xi,N,Xn
危险性类别: Acute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
危险类别码: 36/37/38-51/53-22
危险品运输编号: UN 3077 9 / PGIII

化学与工业

药理信息

Metabolism/MetabolitesBis(4-fluorophenyl)methanone is a known human metabolite of flunarizine.

用途与制造

UsesA metabolite of flunarizine. [ChemIDplus] Used to make plastic products; [ExPub: ECHA REACH Registrations]

U.S. Production2022: <50,000 lb

General Manufacturing InformationMethanone, bis(4-fluorophenyl)-: ACTIVE

应用领域

用途4,4’-二氟二苯甲酮是制备工程塑料聚醚醚酮(PEEK)的主要中间体。聚醚醚酮(PEEK)是一种半晶态芳香族塑性工程塑料，具有耐热等级高、耐辐射、耐腐蚀、冲击强度高、耐磨性和耐疲劳性好、阻燃及电性能优异等特点，以其出色的物理、力学性能，在许多领域可以代替金属、陶瓷等材料，是当今热门的高性能工程塑料之一。此外4,4’-二氟二苯甲酮可作光记录及电记录材料的成像剂和电荷控制剂，还可作某些聚合反应的引发剂，是许多共聚物的单体材料。

制备方法 · 1 条

合成方法①将200g氟苯与65g无水三氯化铝混匀，冷却至0-5℃，滴加100g对氟三氯甲苯反应20min，得到4,4’-二氟苯基二氯甲烷；②将4,4’-二氟苯基二氯甲烷加入到600g水中混匀，加热至共沸温度同时回收氟苯140g，反应5h，冷却至室温，过滤，干燥得到淡黄色固体粗品102g，采用200g甲醇重结晶，过滤，洗涤，干燥，得到熔点为107-108℃的白色结晶92g，经气相色谱分析纯度达99.9％，收率为90％。经1H-NMR检测：δ7.28(4H，t，苯环上氟邻位的氢)；δ7.81(4H，m，苯环上羰基临位的氢)，符合4,4’-二氟二苯甲酮结构。

上下游产品信息

上游原料

氟苯三丁基-2-萘基-锡三丁基(4-氟苯基)锡烷 4,4'-二氟二苯甲烷 4,4'-二氟二苯甲醇 4,4'-二氯二苯甲酮 4-氟苯甲酰氯二甲基砜 4-氟重氮苯四氟硼酸盐对氟苯甲醛

下游产品

4,4,-二(4-氟苯)氯丁烷 4-氟-4'-硝基苯甲酮双(4-氟苯基)(苯基)甲醇

试剂价格

A10653 · 10g: 4,4'-二氟苯酮, 98+%4,4'-Difluorobenzophenone, 98+% — 139元
15179 · 5g: 4,4'-二氟苯酮4,4'-Difluorobenzophenone, 99%, Thermo Scientific™ — 310元

供应商50 家

国药集团化学试剂有限公司86-21-63210123 · [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]

INTATRADE GmbH+49 3493/605464 · [email protected]

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4,4'-二氟二苯甲酮

基本信息

概述