p-Brompropiophenon

p-Bromopropiophenone

HCID 66312CAS 10342-83-3

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Grundinformationen

Standard-SMILES: CCC(=O)c1ccc(Br)cc1
InChIKey: UOMOSYFPKGQIKI-UHFFFAOYSA-N
Summenformel: C9H9BrO
Durchschnittliche Molmasse: 213,07 g/mol
Monoisotopische Masse: 211,98367701

Namen und Bezeichner

Bevorzugter Name: p-Bromopropiophenone
IUPAC: 1-(4-bromophenyl)propan-1-one
Lokaler Name: p-Brompropiophenon
Englischer Name: 4'-Bromopropiophenone
Summenformel: C9H9BrO
Molmasse: 213.07

Namen und Synonyme

4'-Bromopropiophenone10342-83-3p-Bromopropiophenone1-Propanone, 1-(4-bromophenyl)-Propiophenone, 4'-bromo-EINECS 233-745-7DTXSID10145830NSC 83574RefChem:858014DTXCID4068321Propiophenone, 4'-bromo-(8CI)1-Propanone, 1-(4-bromophenyl)-(9CI)

Weitere Namen anzeigen

AURORA 22532p-Brompropiophenon4'-broMo benzeneacetoneThe broMobenzene acetone4'-Bromopropiophenone 98%

233-745-71-(4-bromophenyl)propan-1-one4-Bromopropiophenone1-(4-Bromophenyl)-1-propanone4-BROMOPHENYL ETHYL KETONEMFCD000001064'-bromopropiophenon1-bromo-4-propionylbenzene

Datenbank-Bezeichner

CAS: 10342-83-3
PubChem CID: 66312
DTXSID: DTXSID10145830
UNII: Q8EVM78HH6
EC Number: 233-745-7
Nikkaji: J45.208D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 136

Physikochemische Eigenschaften

Schmelzpunkt: 45 · 45-47 °C(lit.)
Siedepunkt: 138 · 138-140 °C14 mm Hg(lit.)
Dichte: 1.3841 · 1.3841 (rough estimate)
Brechungsindex: 1.572 · 1.5720 (estimate)
Flammpunkt: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Acetonitrile (Slightly), Chloroform (Slightly), Methanol
Aggregatzustand: powder to crystal
Farbe: White to Almost white
BRN: 1210311 · 1210311
InChI: InChI=1S/C9H9BrO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChIKey: UOMOSYFPKGQIKI-UHFFFAOYSA-N
SMILES: C(C1=CC=C(Br)C=C1)(=O)CC
CAS Datenbank: 10342 · 10342-83-3(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1-Propanone, 1-(4-bromophenyl)-(10342-83-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (90.9%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (90.9%)

Sicherheitsdaten

wgk: 3
hs_code: 29147000
risk_code: 22-36/37/38
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Beschreibung4'-Bromopropiophenone is used as a raw material for organic synthesis or as a pharmaceutical intermediate reagent. The 4′-Bromopropiophenone can be employed as a starting material for synthesising novel 5-substituted pyrazole derivatives via Suzuki-type coupling with alkenes. These derivatives function as potent CB1 antagonists exhibiting binding affinities comparable to SR 141716A, presenting potential as therapeutic agents for obesity.