4,4'-Dibrombenzophenon

4,4'-Dibromobenzophenone

HCID 72868CAS 3988-03-2

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Grundinformationen

Standard-SMILES: O=C(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIKey: LFABNOYDEODDFX-UHFFFAOYSA-N
Summenformel: C13H8Br2O
Durchschnittliche Molmasse: 340,01 g/mol
Monoisotopische Masse: 337,89418908

Namen und Bezeichner

Bevorzugter Name: 4,4'-Dibromobenzophenone
IUPAC: bis(4-bromophenyl)methanone
Lokaler Name: 4,4'-Dibrombenzophenon
Englischer Name: 4,4'-Dibromobenzophenone
Summenformel: C13H8Br2O
Molmasse: 340.01

Namen und Synonyme

4,4'-Dibromobenzophenone3988-03-2p,p'-DibromobenzophenoneBis(p-bromophenyl) ketoneBenzophenone, 4,4'-dibromo-DTXSID00192919EINECS 223-632-0NSC 86518RefChem:506622DTXCID90115410Benzophenone, 4,4'-dibromo-(8CI)223-632-0

Weitere Namen anzeigen

4,4'-DBP4.4'-DibroMobe-DibromobenzophenonePhloroglucinol Impurity 714,4' -dibromodibenzophenone4,4'-dibroMotwoBenzophenone4,4'-Dibromobenzophenone 99%Methanone,bis[4-bromophenyl]-Methanone,bis(4-bromophenyl)-

bis(4-bromophenyl)methanone4,4-DIBROMOBENZOPHENONEMethanone, bis(4-bromophenyl)-MFCD00016330di4-bromophenyl ketoneMethanone, bis[4-bromophenyl]-bis(4-bromophenyl) ketoneNSC86518

Datenbank-Bezeichner

CAS: 3988-03-2
PubChem CID: 72868
DTXSID: DTXSID00192919
ChEMBL: CHEMBL75538
EC Number: 223-632-0
Nikkaji: J79.899A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5
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

SpringerMaterials PropertiesCrystal structure

PesticidesPesticide (4,4-dibromobenzophenone) -> USDA PDB

Physikochemische Eigenschaften

Schmelzpunkt: 171 · 171-174 °C(lit.)
Siedepunkt: 395 °C · 395°C (rough estimate)
Dichte: 1.6584 · 1.6584 (rough estimate)
Brechungsindex: 1.522 · 1.5220 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
Farbe: Pale Orange to Pale Brown
Wasserlöslichkeit: 2 · Soluble in ethanol, 2-propanol, acetone and toluene. Miscible with water.
BRN: 2049958 · 2049958
InChI: InChI=1S/C13H8Br2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
InChIKey: LFABNOYDEODDFX-UHFFFAOYSA-N
SMILES: C(C1=CC=C(Br)C=C1)(C1=CC=C(Br)C=C1)=O
CAS Datenbank: 3988 · 3988-03-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811
hs_code: 29147000
risk_code: 36/37/38
safety_code: 22-24/25-37-26
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

Verwenden4,4'-Dibromobenzophenone is used in the synthesis of high molecular weight poly(p-phenylene) derivatives through palladium-catalyzed polycondensation reaction.