비스(4-플루오르페닐)케톤
4,4'-Difluorobenzophenone
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기본 정보
- CAS
345-92-6- 표준 SMILES
O=C(c1ccc(F)cc1)c1ccc(F)cc1- InChIKey
LSQARZALBDFYQZ-UHFFFAOYSA-N- 분자식
- C13H8F2O
- 평균 분자량
- 218.2 g/mol
- 단동위원소 질량
- 218.05432132
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 물성보충 중
- XLogP
- 3.8
- 극성 표면적
- 17.1 Ų
- 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
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
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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
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
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.
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