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HCID 85511Erstellt: 25. Oktober 2026

4-chloro-2-nitro-N-phenylaniline

C.I.10348 · Disperse Yellow 26 · Clobazam impurity 2 · C.I.Disperse Yellow 26 · SRA Fast Golden Yellow X · 4-chloro-2-nitro-N-phenylaniline · C.I.Disperse Yellow 26:C.I.10348 · Benzenamine, 4-chloro-2-nitro-N-phenyl-

https://huagongshe.com/de/chemical/85511

Molekülstruktur von 4-chloro-2-nitro-N-phenylaniline

Identifikatoren & physikalische Daten

CAS No.16611-15-7
SummenformelC12H9ClN2O2
Durchschnittliche Molmasse248,66 g/mol
Monoisotopische Masse248,0352552 g/mol
SMILESO=[N+]([O-])c1cc(Cl)ccc1Nc1ccccc1
InChIKeyGYOVQZDXSHTPBS-UHFFFAOYSA-N
PubChem CID85511
ChEMBLCHEMBL1400151
EC No.240-660-9
DTXSIDDTXSID40168077

Chemische & physikalische Eigenschaften

XLogP4,3
Polarare Oberfläche (TPSA)57,9
H-Brücken-Donoren1
H-Brücken-Akzeptoren3
Frei drehbare Bindungen2
Schwere Atome17
Formalladung0
Komplexität264
Löslichkeit<0.3 [ug/mL] (The mean of the results at pH 7.4)
Schmelzpunkt59-61 °C
Siedepunkt366.4±32.0 °C(Predicted)
Dichte1.387±0.06 g/cm3(Predicted)
pKa (Säurekonstante)-3.90±0.40(Predicted)
InChIInChI=1S/C12H9ClN2O2/c13-9-6-7-11(12(8-9)15(16)17)14-10-4-2-1-3-5-10/h1-8,14H
InChIKeyGYOVQZDXSHTPBS-UHFFFAOYSA-N
SMILESC1(NC2=CC=CC=C2)=CC=C(Cl)C=C1[N+]([O-])=O

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
AlarmwortWarnung
GefahrenhinweiseCode Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Herstellung & Synthese

synthetische

Anilineand 2, 5 – Dichloronitrobenzene condensation