m-Brompropiophenon

1-Propanone, 1-(3-bromophenyl)-

HCID 88272

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Grundinformationen

CAS: 19829-31-3
Standard-SMILES: CCC(=O)c1cccc(Br)c1
InChIKey: QSHLXVTVXQTHBS-UHFFFAOYSA-N
Summenformel: C9H9BrO
Durchschnittliche Molmasse: 213,07 g/mol
Monoisotopische Masse: 211,98368

Namen und Bezeichner

Bevorzugter Name: 1-Propanone, 1-(3-bromophenyl)-
IUPAC: 1-(3-bromophenyl)propan-1-one
Lokaler Name: m-Brompropiophenon
Englischer Name: 3'-Bromopropiophenone
Summenformel: C9H9BrO
Molmasse: 213.07

Namen und Synonyme

19829-31-31-Propanone, 1-(3-bromophenyl)-m-Bromopropiophenone1-(3-Bromophenyl)-1-propanoneEINECS 243-353-8DTXSID5066536RefChem:436292DTXCID7036165243-353-83'-Bromopropiophenone1-(3-bromophenyl)propan-1-one3-BROMOPHENYL ETHYL KETONE

Weitere Namen anzeigen

3-BROMOPROPIOPHENONELABOTEST-BB LT01143368Bupropion MBPP Impurity3'-Bromopropiophenone >3'-Bromopropiophenone,98%3''-BROMOPROPIOPHENONE 98%

MFCD00000084QSHLXVTVXQTHBS-UHFFFAOYSA-3 inverted exclamation mark -Bromopropiophenone3 inverted exclamation marka-Bromopropiophenone1-(3-Bromophenyl)-1-propanone; 3'-Bromopropiophenone; 3-Bromophenyl Ethyl Ketone; m-Bromopropiophenone3`-Bromopropiophenone87RBK6TN9W3'-Bromopropiophenone, 96%

Datenbank-Bezeichner

CAS: 19829-31-3
PubChem CID: 88272
DTXSID: DTXSID5066536
UNII: 87RBK6TN9W
EC Number: 243-353-8
Nikkaji: J225.298H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 144

Physikochemische Eigenschaften

Schmelzpunkt: 39 · 39-41 °C(lit.)
Siedepunkt: 144 · 144-145°C 20mm
Dichte: 1.3841 · 1.3841 (rough estimate)
Brechungsindex: 1.546 · 1.5460 (estimate)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform, Methanol (Slightly)
Aggregatzustand: powder to crystal
Farbe: White to Orange to Green
BRN: 1936736 · 1936736
InChI: 1S/C9H9BrO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
InChIKey: QSHLXVTVXQTHBS-UHFFFAOYSA-N
SMILES: CCC(=O)c1cccc(Br)c1
CAS Datenbank: 19829 · 19829-31-3(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1-Propanone, 1-(3-bromophenyl)- (19829-31-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (20%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29147000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1-Propanone, 1-(3-bromophenyl)-: INACTIVE

Anwendungen

Verwenden3′-Bromopropiophenone was used in the synthesis of o-, m- and p- isomers of (±)-2-[3-(hydroxybenzoyl)phenyl] propanoic acid. It was also used in the synthesis of 2-(methylamino)-1-(3-bromophenyl)propan-1-one.