β-Chlorpropiophenon
3-Chloropropiophenone
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Grundinformationen
- CAS
936-59-4- Standard-SMILES
O=C(CCCl)c1ccccc1- InChIKey
KTJRGPZVSKWRTJ-UHFFFAOYSA-N- Summenformel
- C9H9ClO
- Durchschnittliche Molmasse
- 168,62 g/mol
- Monoisotopische Masse
- 168,03419259
Überblick
3-chloro-1-phenyl-1-propanone is a member of acetophenones and an organochlorine compound.
Namen und Bezeichner
- Bevorzugter Name
- 3-Chloropropiophenone
- IUPAC
- 3-chloro-1-phenylpropan-1-one
- Lokaler Name
- β-Chlorpropiophenon
- Englischer Name
- 3-Chloropropiophenone
- Summenformel
- C9H9ClO
- Molmasse
- 168.62
Namen und Synonyme
3-Chloropropiophenone936-59-43-chloro-1-phenylpropan-1-one1-Propanone, 3-chloro-1-phenyl-3-Chloro-1-phenyl-1-propanonePropiophenone, 3-chloro-WBZ9Q23H2TNSC-37238NSC-227202DTXSID5061324RefChem:436338DTXCID7048877
Weitere Namen anzeigen
B-CHLOROPROPIOPHENONENSC 37238NSC 227202JACS-936-59-4oropropiophenoneβ-Chlorpropiophenoná-chloropropiophenone
213-317-6beta-Chloropropiophenone2-Chloroethyl phenyl ketone3-Chloropropanophenone.beta.-Chloropropiophenone3-Chloro-1-Phenyl-Propan-1-OneMFCD00000990ss-chloropropiophenone
Datenbank-Bezeichner
- CAS
936-59-4- PubChem CID
- 70295
- DTXSID
DTXSID5061324- ChEBI
CHEBI:232113- UNII
- WBZ9Q23H2T
- EC Number
- 213-317-6
- Nikkaji
- J31.121I
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 128
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physikochemische Eigenschaften
- Schmelzpunkt
- 48 · 48-50 °C(lit.)
- Siedepunkt
- 113 · 113-115 °C4 mm Hg(lit.)
- Dichte
- 1.1115 · 1.1115 (rough estimate)
- Brechungsindex
- 1.535 · 1.5350 (estimate)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- Farbe
- Off-White to Pale Yellow
- Wasserlöslichkeit
- Insoluble
- BRN
- 2043580 · 2043580
- Stabilität
- Stable. Incompatible with strong bases, strong oxidizing agents.
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 8.3% (1 of 12) of reports.
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 12 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 05-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18688
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29147000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 37/39-26-24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information1-Propanone, 3-chloro-1-phenyl-: ACTIVE
Anwendungen
Beschreibung3-Chloropropiophenone is a chiral compound that is used as an antidepressant drug. It was first synthesized in the 1950s and has been studied extensively for its pharmacological effects. It is a racemic mixture of two enantiomers, one of which is active and the other inactive. The active enantiomer binds to serotonin receptors and inhibits the reuptake of serotonin, which leads to an increase in serotonin levels. The inactive enantiomer does not bind to serotonin receptors and does not inhibit the reuptake of serotonin. 3-Chloropropiophenone has been shown to be effective when administered at an optimum concentration of 5 milligrams per kilogram body weight.
Verwenden3-Chloropropiophenone is an Impurity of Fluoxetine (F597100).
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