4-Nitrobenzophenon

Methanone, (4-nitrophenyl)phenyl-

HCID 70839

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Grundinformationen

CAS: 1144-74-7
Standard-SMILES: O=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIKey: ZYMCBJWUWHHVRX-UHFFFAOYSA-N
Summenformel: C13H9NO3
Durchschnittliche Molmasse: 227,21 g/mol
Monoisotopische Masse: 227,05824315

Namen und Bezeichner

Bevorzugter Name: Methanone, (4-nitrophenyl)phenyl-
IUPAC: (4-nitrophenyl)-phenylmethanone
Lokaler Name: 4-Nitrobenzophenon
Englischer Name: 4-Nitrobenzophenone
Summenformel: C13H9NO3
Molmasse: 227.22

Namen und Synonyme

4-Nitrobenzophenone1144-74-7p-NitrobenzophenoneMethanone, (4-nitrophenyl)phenyl-4-Nitrophenyl phenyl ketoneBenzophenone, 4-nitro-EINECS 214-542-2NSC 406623DTXSID7061564pNitrobenzophenoneBenzophenone, 4nitroRefChem:811669

Weitere Namen anzeigen

AKOS BBS-000046104-Nitrobenzophenone>4-Nitrobenzophenone 99%4-Nitrobenzophenone, 98%+4-Nitrobenzophenone, 99+%p-Nitrophenyl phenyl ketone

4Nitrophenyl phenyl ketoneMethanone, (4nitrophenyl)phenylDTXCID9033347214-542-2(4-Nitrophenyl)(phenyl)methanone(4-nitrophenyl)-phenylmethanoneMFCD00007354(4-Nitrophenyl)(phenyl)methanone #

Datenbank-Bezeichner

CAS: 1144-74-7
PubChem CID: 70839
DTXSID: DTXSID7061564
EC Number: 214-542-2
Nikkaji: J96.223F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
Polarare Oberfläche (TPSA): 62,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 17
Formalladung: 0
Komplexität: 284

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physical DescriptionLight yellow powder; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 136 · 136-138 °C (lit.)
Siedepunkt: 368.92 °C · 368.92°C (rough estimate)
Dichte: 1.406 · 1.4060
Brechungsindex: 1.588 · 1.5880 (estimate)
storage temp.: 30 °C · Store below +30°C.
Aggregatzustand: powder to crystal
Farbe: White to Light yellow to Green
BRN: 1912753 · 1912753
InChI: InChI=1S/C13H9NO3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H
InChIKey: ZYMCBJWUWHHVRX-UHFFFAOYSA-N
SMILES: C(C1=CC=C([N+]([O-])=O)C=C1)(C1=CC=CC=C1)=O
CAS Datenbank: 1144 · 1144-74-7(CAS DataBase Reference)
NIST chemische Informationen: Methanone, (4-nitrophenyl)phenyl-(1144-74-7)
EPA chemische Informationen: Methanone, (4-nitrophenyl)phenyl- (1144-74-7)

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

Gefahrenhinweise

Hazards SummaryAn irritant; [Sigma-Aldrich MSDS] See Benzophenone. See Nitrobenzene.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29147090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

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

Anwendungen

Verwenden4-Nitrobenzophenone is used in the quantitative structural activity relationship analysis of benzophenone derivatives as antimalarial agents.