4,4'-Dichlorobenzophenone (HCID 7034)

Überblick

4-4-Dichlorobenzophenone is a member of benzophenones.

Namen und Bezeichner

Bevorzugter Name: 4,4'-Dichlorobenzophenone
IUPAC: bis(4-chlorophenyl)methanone
Lokaler Name: 4,4'-Dichlorbenzophenon
Englischer Name: 4,4'-Dichlorobenzophenone
Summenformel: C13H8Cl2O
Molmasse: 251.11

Namen und Synonyme

4,4'-Dichlorobenzophenone90-98-2Methanone, bis(4-chlorophenyl)-Benzophenone, 4,4'-dichloro-DTXSID30376263MTL0YC2Q5DTXCID1017626NSC-8787RefChem:96242202-030-1Bis(4-chlorophenyl)methanoneDCBP

Weitere Namen anzeigen

4'-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

Datenbank-Bezeichner

CAS: 90-98-2
PubChem CID: 7034
DTXSID: DTXSID3037626
ChEMBL: CHEMBL1870191
ChEBI: CHEBI:194706
UNII: 3MTL0YC2Q5
EC Number: 202-030-1
Nikkaji: J39.679F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,9
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 16
Formalladung: 0
Komplexität: 214

Experimentelle und physikochemische Eigenschaften

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+]

Physikochemische Eigenschaften

Schmelzpunkt: 144 · 144-146 °C (lit.)
Siedepunkt: 353 °C · 353 °C (lit.)
Dichte: 1 · 1,45 g/cm3
Brechungsindex: 1.5555 · 1.5555 (estimate)
Flammpunkt: 352 · 352-354°C
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Soluble in hot acetone.
Aggregatzustand: powder to crystal
Farbe: White to Light yellow
BRN: 643345 · 643345
Stabilität: Stable. Incompatible with strong oxidizing agents.
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
CAS Datenbank: 90 · 90-98-2(CAS DataBase Reference)
NIST chemische Informationen: p-Dichlorobenzophenone(90-98-2)
EPA chemische Informationen: Methanone, bis(4-chlorophenyl)- (90-98-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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%)

Toxikologische Informationen

RAIS Toxicity Values · 4 Einträge

0.009

SCREEN Current

0.09

PPRTV Current

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

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 · 4 Einträge

4,4\'-Dichlorobenzophenone

PDF Document

Inadequate information to assess carcinogenic potential

2009

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

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 · 6 Einträge

1.70e+03

2.20e+04

2.30e+02

7.50e+01

9.00e-03

Volatile

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29147000
RTECS-Nr.: DJ0525000
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 22-24/25-36-26
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

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

Anwendungen · 1 Eintrag

Verwenden4,4'-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.

Darstellung · 1 Eintrag

synthetische4,4'-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