4,4'-Difluorobenzophenone (HCID 9582)

개요

structure given in first source; a metabolite of flunarizine

이름 및 식별자

우선 이름: 4,4'-Difluorobenzophenone
IUPAC: bis(4-fluorophenyl)methanone
현지명: 비스(4-플루오르페닐)케톤
영어명: Bis(4-fluorophenyl)-methanone
분자식: C13H8F2O
분자량: 218.2

이름 및 동의어

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

이름 더 보기

비스(4-플루오르페닐)케톤4,4-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 214

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Benzophenones

PFAS · 2건

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]

물리화학적 성질

녹는점: 102 · 102-105 °C (lit.)
끓는 점: 137 °C · 137°C (3 torr)
밀도: 1.2543 · 1.2543 (estimate)
증기압: 0.005 Pa · 0.005Pa at 20℃
인화점: 170 · 170-172°C/10mm
저장 조건: Sealed in dry,Room Temperature
용해도: Insoluble in water
물리적 상태: 결정성 분말
색상: 흰색에서 약간 노란색
수용성: 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℃
NIST: 4 · 4,4'-Difluorobenzophenone(345-92-6)
EPA: 4 · 4,4'-Difluorobenzophenone (345-92-6)

화학적 성질

white to slightly yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 5건

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%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: DJ0685000
ridadr: UN 3077 9 / PGIII
HS 번호: 29143990
risk_code: 36/37/38-51/53-22
hazard_code: Xi,N,Xn
safety_code: 26-37/39-36-61
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

약리 정보

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

용도 및 제조

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

응용 분야 · 2건

용도4,4′-Difluorobenzophenone has been used in the study of thermal stability, water uptake and proton conductivity of carboxylated, carboxylated/sulfonated, and crosslinked membranes.

일반 설명4,4′-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.

상·하류 제품 정보

상류 원료

플루오르벤젠 (2-나프틸)트리부틸스탄난 4-플루오로-(TRI-N-부틸스탄닐)벤젠 1,1-메틸렌비스[4-플루오르벤젠]4,4'-디플루오로벤즈히드롤 4,4'-디클로로벤조페논 플로로(4-)벤조일클로라이드 메틸 술폰 4-플루오로벤젠디아조늄테트라플루오로붕산염 플루오르벤젠알데히드

하류 제품

(4-(4-[BIS(4-FLUOROPHENYL)METHYL]PIPERAZIN-1-YL)PHENYL)METHANOL 1,1'-(4-클로로부틸리덴)비스(4-플루오로벤젠)4-플루오로-4'-니트로벤조페논 BIS-(4-플루오로-페닐)-페닐-메탄올 1,1-비스(4-플루오로페닐)-1-부텐

공급사50 곳

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]

연결된 노트

불러오는 중…

비스(4-플루오르페닐)케톤

기본 정보

개요