4'-Phenylacetophenon

4-Acetylbiphenyl

HCID 7113CAS 92-91-1

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Grundinformationen

Standard-SMILES: CC(=O)c1ccc(-c2ccccc2)cc1
InChIKey: QCZZSANNLWPGEA-UHFFFAOYSA-N
Summenformel: C14H12O
Durchschnittliche Molmasse: 196,24 g/mol
Monoisotopische Masse: 196,088815

Namen und Bezeichner

Bevorzugter Name: 4-Acetylbiphenyl
IUPAC: 1-(4-phenylphenyl)ethanone
Lokaler Name: 4'-Phenylacetophenon
Englischer Name: 4-Acetylbiphenyl
Summenformel: C14H12O
Molmasse: 196.24

Namen und Synonyme

4-ACETYLBIPHENYL4'-Phenylacetophenone4-Phenylacetophenone4-Biphenylyl methyl ketoneEthanone, 1-[1,1'-biphenyl]-4-yl-4'-ACETYLBIPHENYLBiphenyl-4-acetophenone4-Phenyl-acetophenon4-Phenyl-acetophenoneDTXSID6052619PX5XEZ9DQDEthanone, 1-(1,1'-biphenyl)-4-yl-

Weitere Namen anzeigen

TMBAMESITOIC ACIDACETYLBIPHENYL4-BIPHENYL METHYL KETONE1-Biphenyl-4-yl-ethanoneAKOS 90586AKOS BAR-1322AcetodiphenylAURORA KA-7298

1-Acetyl-4-phenylbenzeneEINECS 202-202-6BRN 1101615AI3-00897NSC-18754-Diphenyl methyl ketonep-Biphenylyl methyl ketoneACETOPHENONE, P-PHENYL-

Datenbank-Bezeichner

CAS: 92-91-1
PubChem CID: 7113
DTXSID: DTXSID6052619
ChEMBL: CHEMBL1522504
UNII: PX5XEZ9DQD
EC Number: 202-202-6
Nikkaji: J39.596J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 207

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical shift

Physikochemische Eigenschaften

Schmelzpunkt: 152 · 152-155 °C(lit.)
Siedepunkt: 325 · 325-327 °C
Dichte: 1.251 · 1.2510
Brechungsindex: 1.592 · 1.5920 (estimate)
Flammpunkt: 168 °C/8mm · 168°C/8mm
storage temp.: 2 · 2-8°C
Löslichkeit: 10 mg/200microlitres, · chloroform: soluble10mg/200microlitres, clear, colorless to faintly yellow
Aggregatzustand: Solid
Farbe: White to Green to Brown
Wasserlöslichkeit: insoluble
BRN: 1101615 · 1101615
InChI: InChI=1S/C14H12O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,1H3
InChIKey: QCZZSANNLWPGEA-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(C2=CC=CC=C2)C=C1)C
CAS Datenbank: 92 · 92-91-1(CAS DataBase Reference)
NIST chemische Informationen: 1 · Ethanone, 1-[1,1'-biphenyl]-4-yl-(92-91-1)
EPA chemische Informationen: 1 · Ethanone, 1-[1,1'-biphenyl]-4-yl- (92-91-1)

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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationEthanone, 1-[1,1'-biphenyl]-4-yl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29143900
RTECS-Nr.: DI0887010
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-36-26
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationEthanone, 1-[1,1'-biphenyl]-4-yl-: ACTIVE

Anwendungen

Verwenden4-Acetylbiphenyl is involved in the study of inactivation of 7-ethoxy-4-trifluoromethylcoumarin ortho-deethylase activity by various arylalkynes. Further, it is used in the preparation of Schiffs base.