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HCID 90686Erstellt: 26. Oktober 2026

4'-Chlorvalerophenon

pentan-1-one · 4'-Chlorofenone · TIMTEC-BB SBB005774 · P-CHLOROVALEROPHENONE · 4-CHLOROVALEROPHENONE · 4'-Chlorovalerophenone · 4-chlorophenopentanone · 4'-CHLOROPENTANOPHENONE

https://huagongshe.com/de/chemical/90686

Molekülstruktur von 4'-Chlorvalerophenon

Identifikatoren & physikalische Daten

CAS No.25017-08-7
SummenformelC11H13ClO
Durchschnittliche Molmasse196,67 g/mol
Monoisotopische Masse196,06549272 g/mol
SMILESCCCCC(=O)c1ccc(Cl)cc1
InChIKeyXMUGWCSIQUJOFA-UHFFFAOYSA-N
PubChem CID90686
EC No.246-566-4
DTXSIDDTXSID70179717
Lokaler Name4'-Chlorvalerophenon

Chemische & physikalische Eigenschaften

XLogP3,6
Polarare Oberfläche (TPSA)17,1
H-Brücken-Donoren0
H-Brücken-Akzeptoren1
Frei drehbare Bindungen4
Schwere Atome13
Formalladung0
Komplexität159
Schmelzpunkt29-33 °C
Siedepunkt156 °C / 14mmHg
Dichte1.0753 (rough estimate)
Brechungsindex1.5364 (estimate)
Flammpunkt30 °C
LagerbedingungenSealed in dry,Room Temperature
Aggregatzustandfused solid
FarbeOff-white to faint yellow
InChIInChI=1S/C11H13ClO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8H,2-4H2,1H3
InChIKeyXMUGWCSIQUJOFA-UHFFFAOYSA-N
SMILESC(C1=CC=C(Cl)C=C1)(=O)CCCC
CAS Datenbank25017-08-7(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 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 (90.7%)
UN-Transportnummer3077
Zollcode29420000
R-Sätze (R)36/37/38
GefahrensymboleXi
Sicherheitshinweise (S)37/39-26-24/25