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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 587352Erstellt: 4. November 2026

4-(4-Chlorophenyl)-4-oxobutanenitrile

SALOR-INT L481963-1EA · 4-(4-CHLOROPHENYL)-4-OXOBUTYRONITRILE · 4-(4-CHLOROPHENYL)-4-OXOBUTANENITRILE · Benzenebutanenitrile, 4-chloro-γ-oxo- · JR-8483, 4-(4-Chlorophenyl)-4-oxobutanenitrile, 97%

https://huagongshe.com/de/chemical/587352

Molekülstruktur von 4-(4-Chlorophenyl)-4-oxobutanenitrile

Identifikatoren & physikalische Daten

CAS No.40394-87-4
SummenformelC10H8ClNO
Durchschnittliche Molmasse193,63 g/mol
Monoisotopische Masse193,0294416 g/mol
SMILESN#CCCC(=O)c1ccc(Cl)cc1
InChIKeyUJXMMEVNYHPAPU-UHFFFAOYSA-N
PubChem CID587352
EC No.846-862-9
DTXSIDDTXSID40343089

Chemische & physikalische Eigenschaften

XLogP1,9
Polarare Oberfläche (TPSA)40,9
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen3
Schwere Atome13
Formalladung0
Komplexität222
Schmelzpunkt72.4 °C
Siedepunkt375.7±22.0 °C(Predicted)
Dichte1+-.0.06 g/cm3(Predicted)
Aggregatzustandsolid

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
R-Sätze (R)43
Sicherheitshinweise (S)36/37