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HCID 219367Erstellt: 26. Oktober 2026

1-(4-Nitrophenyl)propan-2-one

NSC 581 · 4-Nitrophenylacetone · (P-NITROPHENYL)ACETONE · 4-Nitrophenylacetone,98% · 1-(4-Nitrophenyl)acetone · Methyl 4-nitrobenzyl ketone · 1-(4-Nitrophenyl)-2-propanone · 1-(p-Nitrophenyl)-2-propanone

https://huagongshe.com/de/chemical/219367

Molekülstruktur von 1-(4-Nitrophenyl)propan-2-one

Identifikatoren & physikalische Daten

CAS No.5332-96-7
SummenformelC9H9NO3
Durchschnittliche Molmasse179,17 g/mol
Monoisotopische Masse179,05824315 g/mol
SMILESCC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIKeyGEWWCWZGHNIUBW-UHFFFAOYSA-N
PubChem CID219367
EC No.676-546-4
DTXSIDDTXSID60277054

Chemische & physikalische Eigenschaften

XLogP1,8
Polarare Oberfläche (TPSA)62,9
H-Brücken-Donoren0
H-Brücken-Akzeptoren3
Frei drehbare Bindungen2
Schwere Atome13
Formalladung0
Komplexität201
SpringerMaterials PropertiesChemical shift
Schmelzpunkt63-64°C
Siedepunkt158-160 °C(Press: 5 Torr)
Dichte1.212±0.06 g/cm3(Predicted)
LagerbedingungenSealed in dry,Room Temperature
LöslichkeitInsoluble in water, soluble in usual organic solvents.
BRN1953054
InChIInChI=1S/C9H9NO3/c1-7(11)6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3
InChIKeyGEWWCWZGHNIUBW-UHFFFAOYSA-N
SMILESC(C1=CC=C([N+]([O-])=O)C=C1)C(=O)C
CAS Datenbank5332-96-7(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungWarningH315 (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.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
R-Sätze (R)36/37/38
Sicherheitshinweise (S)23-36/37/39

Anwendungen & Verwendung

Verwenden

It is applied as an intermediate in organic synthesis.