4,4'-디클로로벤조페논
4,4'-Dichlorobenzophenone
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기본 정보
- CAS
90-98-2- 표준 SMILES
O=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1- InChIKey
OKISUZLXOYGIFP-UHFFFAOYSA-N- 분자식
- C13H8Cl2O
- 평균 분자량
- 251.1 g/mol
- 단동위원소 질량
- 249.99522024
개요
4-4-Dichlorobenzophenone is a member of benzophenones.
이름 및 식별자
- 우선 이름
- 4,4'-Dichlorobenzophenone
- IUPAC
- bis(4-chlorophenyl)methanone
- 현지명
- 4,4'-디클로로벤조페논
- 영어명
- 4,4'-Dichlorobenzophenone
- 분자식
- C13H8Cl2O
- 분자량
- 251.11
이름 및 동의어
4,4'-Dichlorobenzophenone90-98-2Methanone, bis(4-chlorophenyl)-Benzophenone, 4,4'-dichloro-DTXSID30376263MTL0YC2Q5DTXCID1017626NSC-8787RefChem:96242202-030-1Bis(4-chlorophenyl)methanoneDCBP
이름 더 보기
4,4'-디클로로벤조페논4'-DBPusafdo-44,4'-DBP4,4'-DCBPAKOS 941894,4'-DichLDCBP Standard4.4'-Dichlorob4,4'-Dichlorobenzoph
Bis(4-chlorophenyl) ketone4,4-DICHLOROBENZOPHENONEDi(p-chlorophenyl)ketoneUSAF DO-4MFCD00000623Di(4-chlorophenyl)ketoneBis(p-chlorophenyl)ketoneP,P'-DICHLOROBENZOPHENONE
데이터베이스 식별자
- CAS
90-98-2- PubChem CID
- 7034
- DTXSID
DTXSID3037626- ChEMBL
CHEMBL1870191- ChEBI
CHEBI:194706- UNII
- 3MTL0YC2Q5
- EC Number
- 202-030-1
- Nikkaji
- J39.679F
물성
구조 계산 물성보충 중
- XLogP
- 4.9
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 214
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Benzophenones
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
PesticidesPesticide degradation product
Physical DescriptionWhite or off-white crystalline powder; [Alfa Aesar MSDS]
Collision Cross Section148.55 Ų [M]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]
물리화학적 성질
- 녹는점
- 144 · 144-146 °C (lit.)
- 끓는 점
- 353 °C · 353 °C (lit.)
- 밀도
- 1 · 1,45 g/cm3
- 굴절률
- 1.5555 · 1.5555 (estimate)
- 인화점
- 352 · 352-354°C
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 뜨거운 아세톤에 용해됩니다.
- 물리적 상태
- powder to crystal
- 색상
- 흰색에서 밝은 노란색
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (86.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 37 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Methanone, bis(4-chlorophenyl)-
Methanone, bis(4-chlorophenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryIntraperitoneal LD50 (mouse) = 200 mg/kg; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (86.5%)
독성 정보
RAIS Toxicity Values
0.009
SCREEN Current
0.09
PPRTV Current
USGS Health-Based Screening Levels for Evaluating Water-Quality
4,4'-Dichlorobenzophenone
Pesticide degradation product
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
EPA Provisional Peer-Reviewed Toxicity Values
화학 및 산업
용도 및 제조
General Manufacturing InformationMethanone, bis(4-chlorophenyl)-: ACTIVE
응용 분야
용도4,4'-Dichlorobenzophenone is used as pharmaceutical intermediates. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and dyestuffs. Bisaminonitrile was polymerized with 4,4'-dichlorobenzophenone using NaH as base.
일반 설명4,4′-Dichlorobenzophenone (DBP) is a metabolite obtained when one strain of ectomycorrhizal fungi, Xerocomus chrysenteron, degrades 1,1,1-trichloro-2,2-bis(4-chlorophe-nyl) ethane (DDT).
제조 방법
4,4'-Dichlorobenzophenone is prepared by the acylation of chlorobenzene with 4-chlorobenzoyl chloride. The conversion is typically conducted in the presence of an aluminium chloride catalyst in a petroleum ether solvent.ClC6H5C(O)Cl + C6H5Cl → (ClC6H4)2CO + HCl
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