4-Aminobenzophenon

4-Aminobenzophenone

HCID 14346CAS 1137-41-3

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Grundinformationen

Standard-SMILES: Nc1ccc(C(=O)c2ccccc2)cc1
InChIKey: RBKHNGHPZZZJCI-UHFFFAOYSA-N
Summenformel: C13H11NO
Durchschnittliche Molmasse: 197,23 g/mol
Monoisotopische Masse: 197,08406397

Namen und Bezeichner

Bevorzugter Name: 4-Aminobenzophenone
IUPAC: (4-aminophenyl)-phenylmethanone
Lokaler Name: 4-Aminobenzophenon
Englischer Name: 4-Aminobenzophenone
Summenformel: C13H11NO
Molmasse: 197.23

Namen und Synonyme

4-Aminobenzophenone1137-41-3Methanone, (4-aminophenyl)phenyl-p-AminobenzophenoneBenzophenone, 4-amino-p-BenzoylanilineUSAF A-233NSC 76659VH7LQN5JEEINECS 214-506-6BRN 0389292AI3-03267

Weitere Namen anzeigen

PABusafa-2334-aminobenzopenoneTIMTEC-BB SBB003574AMINOBENZOPHENONE-4

NSC-7665DTXSID80615574-14-00-00248 (Beilstein Handbook Reference)RefChem:518192DTXCID0033332214-506-6(4-aminophenyl)(phenyl)methanone4-BENZOYLANILINE

Datenbank-Bezeichner

CAS: 1137-41-3
PubChem CID: 14346
DTXSID: DTXSID8061557
ChEMBL: CHEMBL314211
UNII: 9VH7LQN5JE
EC Number: 214-506-6
Nikkaji: J43.314D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 43,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 213

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Schmelzpunkt: 121 · 121-124 °C (lit.)
Siedepunkt: 246 °C · 246 °C (12.7517 mmHg)
Dichte: 1.0957 · 1.0957 (rough estimate)
Brechungsindex: 1.605 · 1.6050 (estimate)
Flammpunkt: 245 · 245-247°C/22mm
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: Fine Crystalline Powder
pka: 1 · pK1: 2.15(+1) (25°C)
Farbe: Yellow
Wasserlöslichkeit: Soluble in cold water, alcohol and ether.
BRN: 389292 · 389292
InChI: InChI=1S/C13H11NO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H,14H2
InChIKey: RBKHNGHPZZZJCI-UHFFFAOYSA-N
SMILES: C(C1=CC=C(N)C=C1)(C1=CC=CC=C1)=O
CAS Datenbank: 1137 · 1137-41-3(CAS DataBase Reference)
EPA chemische Informationen: Methanone, (4-aminophenyl)phenyl- (1137-41-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (91.3%): 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (91.3%)

Sicherheitsdaten

F: 8-10-23
wgk: 3
tsca: TSCA listed
hs_code: 29223990
RTECS-Nr.: DJ0175000
risk_code: 36/37/38-22
hazard_code: Xi
safety_code: 26-36-37/39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationMethanone, (4-aminophenyl)phenyl-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden4-Aminobenzophenone is associated with 4-benzoylpyridine and it is used as a frequency doubler for semiconductor lasers. It is used in the preparation of 1-[4-[N,N-bis(trimethylsilyl)amino]phenyl]-1-phenylethylene. It is used as a precursor to prepare 1,2,3-triazoles, pyrimidotriazoles, benzothiazole and pyrimidinone derivatives. It is involved in the formation of coordination complexes with chromium(III).