Grundinformationen
- Standard-SMILES
CC(=O)C(Cl)Cc1ccc(Cl)cc1- InChIKey
KKCOSJVILRLIBA-UHFFFAOYSA-N- Summenformel
- C10H10Cl2O
- Durchschnittliche Molmasse
- 217,09 g/mol
- Monoisotopische Masse
- 216,0108703
Namen und Bezeichner
- Bevorzugter Name
- 3-Chloro-4-(4-chlorophenyl)-2-butanone
- IUPAC
- 3-chloro-4-(4-chlorophenyl)butan-2-one
- Englischer Name
- 3-Chloro-4-(4-chlorophenyl)-2-butanone
- Summenformel
- C10H10Cl2O
- Molmasse
- 217.09
Namen und Synonyme
3-chloro-4-(4-chlorophenyl)-2-butanone50789-59-8RefChem:499893653-167-2SCHEMBL1036428KKCOSJVILRLIBA-UHFFFAOYSA-NAKOS0222788162-Butanone, 3-chloro-4-(4-chlorophenyl)-
Datenbank-Bezeichner
- CAS
50789-59-8- PubChem CID
- 4054027
- EC Number
- 653-167-2
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 174
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Eye Irrit. 2 (100%)
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Anbieter2 Anbieter
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Sigma-Aldrich Japan K.K.[email protected]
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