β-Chlorpropiophenon

3-Chloropropiophenone

HCID 70295CAS 936-59-4
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Grundinformationen

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 Struktureigenschaften

XLogP
2,2
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
3
Schwere Atome
11

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1-Propanone, 3-chloro-1-phenyl-: ACTIVE
Anwendungen · 2 Einträge

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).

Vor- und nachgelagerte Produkte

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