4,4'-Difluorobenzophenone (HCID 9582)

概要

structure given in first source; a metabolite of flunarizine

名称と識別子

優先名称: 4,4'-Difluorobenzophenone
IUPAC: bis(4-fluorophenyl)methanone
現地名: 4,4'-ジフルオロベンゾフェノン
英語名: Bis(4-fluorophenyl)-methanone
分子式: C13H8F2O
分子量: 218.2

名称と別名

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

名称をさらに表示

4,4'-ジフルオロベンゾフェノンビス(4-フルオロフェニル)ケトン4,4'-カルボニルビス(フルオロベンゼン)4,4'-カルボニルビス(1-フルオロベンゼン)1,1'-カルボニルビス(4-フルオロベンゼン)4,4’-ジフルオロベンゾフェノン4，4’ジフルオロベンゾフェノン4,4′-ジフルオロベンゾフェノンビス（4-フルオロフェニル）メタノン4,4′‐ジフルオロベンゾフェノン4,4′-カルボニルビス(1-フルオロベンゼン)4,4′-カルボニルビス(フルオロベンゼン)1,1′-カルボニルビス(4-フルオロベンゼン)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

データベース識別子

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

物性

構造計算による物性

XLogP: 3.8
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 16
形式電荷: 0
複雑度: 214

実験および物理化学的性質

Chemical ClassesOther Classes -> Benzophenones

PFAS · 2 件

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]

物理化学的性質

融点: 102 · 102-105 °C (lit.)
沸点: 137 °C · 137°C (3 torr)
比重(密度): 1.2543 · 1.2543 (estimate)
蒸気圧: 0.005 Pa · 0.005Pa at 20℃
闪点: 170 · 170-172°C/10mm
貯蔵温度: Sealed in dry,Room Temperature
溶解性: Insoluble in water
外見: 結晶性粉末
色: 白色～やや黄色
水溶解度: 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 データベース: 345 · 345-92-6(CAS DataBase Reference)
NISTの化学物質情報: 4 · 4,4'-Difluorobenzophenone(345-92-6)
EPAの化学物質情報: 4 · 4,4'-Difluorobenzophenone (345-92-6)

化学的性質

化学的特性white to slightly yellow crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 5 件

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%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: DJ0685000
ridadr: UN 3077 9 / PGIII
hs_code: 29143990
risk_code: 36/37/38-51/53-22
hazard_code: Xi,N,Xn
safety_code: 26-37/39-36-61
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 13 - Non Combustible Solids

化学と産業

薬理情報

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

用途と製造

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

応用分野 · 3 件

用途有機合成原料。

使用4,4′-Difluorobenzophenone has been used in the study of thermal stability, water uptake and proton conductivity of carboxylated, carboxylated/sulfonated, and crosslinked membranes.

一般的な説明4,4′-Difluorobenzophenone is typically used as a starting material for the preparation of polyetheretherketone (PEEK) polymer, a high-temperature thermoplastic, which finds wide use in dentistry as well as in automotive, oil industries, etc.

上流・下流製品情報

上流原料

フルオロベンゼントリブチル(2-ナフチル)スタンナン 4-FLUORO-(TRI-N-BUTYLSTANNYL)BENZENE 4,4'-ジフルオロジフェニルメタン 4,4'-ジフルオロベンズヒドロール 4,4'-ジクロロベンゾフェノン 4-フルオロベンゾイルクロリドジメチルスルホン 4-FLUOROBENZENEDIAZONIUM TETRAFLUOROBORATE 4-フルオロベンズアルデヒド

下流製品

(4-(4-[BIS(4-FLUOROPHENYL)METHYL]PIPERAZIN-1-YL)PHENYL)METHANOL 1,1'-(4-クロロブチリデン)ビス(4-フルオロベンゼン)4-フルオロ-4'-ニトロベンゾフェノン BIS-(4-FLUORO-PHENYL)-PHENYL-METHANOL 1,1-ビス(4-フルオロフェニル)-1-ブテン

サプライヤー50 社

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]

4,4'-ジフルオロベンゾフェノン

基本情報

概要