3'-Methoxypropiophenon

3'-Methoxypropiophenone

HCID 584765CAS 37951-49-8

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Grundinformationen

Standard-SMILES: CCC(=O)c1cccc(OC)c1
InChIKey: LPDJHUUWTGXTCU-UHFFFAOYSA-N
Summenformel: C10H12O2
Durchschnittliche Molmasse: 164,2 g/mol
Monoisotopische Masse: 164,08372962

Namen und Bezeichner

Bevorzugter Name: 3'-Methoxypropiophenone
IUPAC: 1-(3-methoxyphenyl)propan-1-one
Lokaler Name: 3'-Methoxypropiophenon
Englischer Name: 3'-methoxypropiophenone
Summenformel: C10H12O2
Molmasse: 164.2

Namen und Synonyme

3'-Methoxypropiophenone37951-49-81-(3-methoxyphenyl)propan-1-one1-Propanone, 1-(3-methoxyphenyl)-EINECS 253-729-3DTXSID80191389RefChem:484701DTXCID40113880253-729-31-(3-Methoxyphenyl)-1-propanone1-(3-methoxy-phenyl)-propan-1-one3'-Methoxypropiophenon

Weitere Namen anzeigen

3-methoxypropiophenone3'-Methoxypropiophenone, 99%1-(3-methoxy-phenyl)propan-1-one

3`-MethoxypropiophenoneMFCD084588233 inverted exclamation mark -Methoxypropiophenonem-Methoxypropiophenone3-methoxyphenyl ethyl ke3-methoxyphenyl ethyl ketoneF3SB684FEW3-Methoxypropiophenone, 97%

Datenbank-Bezeichner

CAS: 37951-49-8
PubChem CID: 584765
DTXSID: DTXSID80191389
UNII: F3SB684FEW
EC Number: 253-729-3
Nikkaji: J261.276C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 154

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesOptical coefficient

Physikochemische Eigenschaften

Siedepunkt: 259 ℃ · 259℃
Dichte: 1.0812 · 1.0812
Brechungsindex: 1.523 · 1.5230 (estimate)
storage temp.: Sealed in dry,Room Temperature
InChI: InChI=1S/C10H12O2/c1-3-10(11)8-5-4-6-9(7-8)12-2/h4-7H,3H2,1-2H3
InChIKey: LPDJHUUWTGXTCU-UHFFFAOYSA-N
SMILES: C(C1=CC=CC(OC)=C1)(=O)CC

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 78.6% (11 of 14) of all reports.

Warning

H302 (21.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 14 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 11-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21686

Hazard Classes and CategoriesAcute Tox. 4 (21.4%)

Sicherheitsdaten

hs_code: 2914500090

Chemie und Industrie

Anwendungen

Verwenden3'-methoxypropiophenone has a wide range of applications in the fields of medicine, chemistry, and industry.

Darstellung

synthetischePreparation by reaction of ethylmagnesium bromide,with m-methoxybenzonitrile (m.p. 60°)with 3-methoxybenzaldehyde and oxidation of the resulting 1-(3-methoxyphenyl)-1-propanol with sodium dichromate in sulfuric acid (70%).