1-(4'-Brom[1,1'-biphenyl]-4-yl)ethan-1-on

1-(4'-Bromo(1,1'-biphenyl)-4-yl)ethan-1-one

HCID 79806CAS 5731-01-1

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Grundinformationen

Standard-SMILES: CC(=O)c1ccc(-c2ccc(Br)cc2)cc1
InChIKey: UUVKNCRMWPNBNM-UHFFFAOYSA-N
Summenformel: C14H11BrO
Durchschnittliche Molmasse: 275,14 g/mol
Monoisotopische Masse: 273,99932707

Namen und Bezeichner

Bevorzugter Name: 1-(4'-Bromo(1,1'-biphenyl)-4-yl)ethan-1-one
IUPAC: 1-[4-(4-bromophenyl)phenyl]ethanone
Lokaler Name: 1-(4'-Brom[1,1'-biphenyl]-4-yl)ethan-1-on
Englischer Name: 4-Acetyl-4'-bromobiphenyl
Summenformel: C14H11BrO
Molmasse: 275.14

Namen und Synonyme

EINECS 227-236-91-(4'-Bromo(1,1'-biphenyl)-4-yl)ethan-1-oneDTXSID40205931NSC 580591-(4'-bromo[1,1'-biphenyl]-4-yl)ethan-1-oneRefChem:424140DTXCID70128422227-236-94-Acetyl-4'-bromobiphenyl5731-01-11-(4'-Bromo-[1,1'-biphenyl]-4-yl)ethanone4'-(4-Bromophenyl)acetophenone

Weitere Namen anzeigen

1-(4'-Bromo-[1,1'-biphenyl]-4-yl)ethan-1-oneAKOS BAR-2458AcetylbromodiphenylTIMTEC-BB SBB0058894-ACETYL-4'-BROMODIPHENYL4-bromo-4'-acetylbiphenyl4-(4-BROMOPHENYL)ACETOPHENONE

1-[4-(4-bromophenyl)phenyl]ethanoneEthanone, 1-(4'-bromo[1,1'-biphenyl]-4-yl)-MFCD001432421-{4'-bromo-[1,1'-biphenyl]-4-yl}ethan-1-oneNSC58059Acetophenone, 4'-(p-bromophenyl)-NSC-580594'-Bromo-4-acetylbiphenyl

Datenbank-Bezeichner

CAS: 5731-01-1
PubChem CID: 79806
DTXSID: DTXSID40205931
UNII: MNW39Q228J
EC Number: 227-236-9
Nikkaji: J225.121C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,7
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 16
Formalladung: 0
Komplexität: 235

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical structure

Physikochemische Eigenschaften

Schmelzpunkt: 129 · 129-133 °C(lit.)
Siedepunkt: 372.1 · 372.1±17.0 °C(Predicted)
Dichte: 1.359 · 1.359±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: soluble in Toluene
Aggregatzustand: powder to crystal
Farbe: White to Orange to Green
BRN: 2048590 · 2048590
InChI: InChI=1S/C14H11BrO/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13/h2-9H,1H3
InChIKey: UUVKNCRMWPNBNM-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(C2=CC=C(Br)C=C2)C=C1)C
CAS Datenbank: 5731 · 5731-01-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3077 9/PG 3
hs_code: 2914790090
risk_code: 36-51/53
hazard_code: Xi,N
safety_code: 26-36-61-24/25-22
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Aquatic Chronic 2Eye Irrit. 2

Chemie und Industrie

Anwendungen

Verwenden4-Acetyl-4'-bromobiphenyl is mainly used as a reagent for experimental organic synthesis or reactions, including substitution reactions or the synthesis and polymerisation of biphenyl derivatives.