4,4'-Dichlorobenzophenone (HCID 7034)

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 물성

XLogP: 4.9
극성 표면적: 17.1 Å²
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 Å² [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
BRN: 643345 · 643345
안정성: 안정적인. 강한 산화제와 호환되지 않습니다.
InChI: InChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
InChIKey: OKISUZLXOYGIFP-UHFFFAOYSA-N
SMILES: C(C1=CC=C(Cl)C=C1)(C1=CC=C(Cl)C=C1)=O
NIST: p-Dichlorobenzophenone(90-98-2)
EPA: Methanone, bis(4-chlorophenyl)- (90-98-2)

화학적 성질

faintly yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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 · 2건

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 · 4건

0.009

SCREEN Current

0.09

PPRTV Current

USGS Health-Based Screening Levels for Evaluating Water-Quality · 3건

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 · 4건

4,4\'-Dichlorobenzophenone

PDF Document

Inadequate information to assess carcinogenic potential

2009

Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 · 6건

5.70e+02

7.40e+03

7.80e+01

7.50e+01

4.70e-01

9.00e-03

Hazard Quotient Level 3 or Cancer Risk Level 1E-04 · 6건

1.70e+03

2.20e+04

2.30e+02

7.50e+01

9.00e-03

Volatile

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: DJ0525000
HS 번호: 29147000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-36-26
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

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

응용 분야 · 2건

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 · 1건

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