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4'-Chlorpropiophenon
1-(4-CHLOROPHENYL)PROPAN-2-ONE · 4-CHLOROPROPIOPHENONE · chloropropiophenone · 1-(4-CHLORO-PHENYL)-PROPAN-1-ONE · usafek-5296 · USAF ek-5296 · AKOS B028567 · 4-chlorophenone
Identifikatoren & physikalische Daten
| CAS No. | 6285-05-8 |
|---|---|
| Summenformel | C9H9ClO |
| Durchschnittliche Molmasse | 168,62 g/mol |
| Monoisotopische Masse | 168,03419259 g/mol |
| SMILES | CCC(=O)c1ccc(Cl)cc1 |
| InChIKey | ADCYRBXQAJXJTD-UHFFFAOYSA-N |
| PubChem CID | 22697 |
| ChEMBL | CHEMBL2251218 |
| EC No. | 228-511-6 |
| DTXSID | DTXSID1048203 |
| Lokaler Name | 4'-Chlorpropiophenon |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 136 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 35-37 °C(lit.) |
| Siedepunkt | 95-97 °C1 mm Hg(lit.) |
| Dichte | 1.151 |
| Brechungsindex | 1.5325-1.5345 |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)Insoluble |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| BRN | 1100638 |
| InChI | InChI=1S/C9H9ClO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3 |
| InChIKey | ADCYRBXQAJXJTD-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(Cl)C=C1)(=O)CC |
| LogP (Verteilungskoeffizient) | 2.4 |
| CAS Datenbank | 6285-05-8(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Propanone, 1-(4-chlorophenyl)-(6285-05-8) |
| EPA chemische Informationen | 1-Propanone, 1-(4-chlorophenyl)- (6285-05-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 19-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/340221-Propanone, 1-(4-chlorophenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Acute Tox. 4 (16.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29147000 |
| RTECS-Nr. | UG9275000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 37/39-26-24/25 |
| Verpackungsgruppe | II |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4'-Chloropropiophenone is a chemical raw material and pharmaceutical intermediate with important application value. It has very important applications in modern pharmaceutical, chemical and biological fields.