Grundinformationen
- Standard-SMILES
CC(Br)C(=O)c1cccc(Cl)c1- InChIKey
OFNMQTRHMBQQEA-UHFFFAOYSA-N- Summenformel
- C9H8BrClO
- Durchschnittliche Molmasse
- 247,51 g/mol
- Monoisotopische Masse
- 245,94470466
Namen und Bezeichner
- Bevorzugter Name
- alpha-Bromo-3-chloropropiophenone
- IUPAC
- 2-bromo-1-(3-chlorophenyl)propan-1-one
- Lokaler Name
- 2-Brom-3'-chlorpropiophenon
- Englischer Name
- 2-Bromo-3'-chloropropiophenone
- Summenformel
- C9H8BrClO
- Molmasse
- 247.52
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
34911-51-8- PubChem CID
- 4992116
- DTXSID
DTXSID10956382- UNII
- 3OP1CI6QQX
- EC Number
- 252-282-1
- Nikkaji
- J289.863B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,7
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 172
Physikochemische Eigenschaften
- Siedepunkt
- 148 · 148-148.5 °C(Press: 9 Torr)
- Dichte
- 1.532 · 1.532
- Brechungsindex
- 1.577 · 1.5770
- storage temp.
- Refrigerator, Under Inert Atmosphere
- Löslichkeit
- Soluble in acetonitrile, chloroform, dichloromethane and ethyl acetate.
- Aggregatzustand
- Liquid
- Farbe
- Colorless to pale yellow
- Major Application
- pharmaceutical
- InChI
- InChI=1S/C9H8BrClO/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6H,1H3
- InChIKey
- OFNMQTRHMBQQEA-UHFFFAOYSA-N
- SMILES
- C(C1=CC=CC(Cl)=C1)(=O)C(Br)C
- CAS Datenbank
- 34911 · 34911-51-8(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2914790000
- hazard_class
- IRRITANT
- Speicherklasse
- 12 - Non Combustible Liquids
- Hazard Classifications
- Skin Irrit. 2Skin Sens. 1B
Chemie und Industrie
Anwendungen
Verwenden2-Bromo-3'-chloropropiophenone is used as an important intermediate for raw material and intermediate used in organic synthesis agrochemical, pharmaceutical and dyestuff field.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter50 Anbieter
Ergänzende Hinweise
Definition2-Bromo-3'-chloropropiophenone (BCP), a yellow oil, is an intermediate used in the synthesis of bupropion and is also found as an impurity of bupropion hydrochloride. Bupropion is a second-generation antidepressant that was originally approved by the United States Food and Drug Administration (FDA) in 1985. It is a norepinephrine and dopamine transporter inhibitor and an antagonist at neuronal nicotinic acetylcholine receptors. Bupropion is also approved for smoking cessation[1].
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