4-Morpholinobenzaldehyde

HCID 291349CAS 1204-86-0

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Grundinformationen

Standard-SMILES: O=Cc1ccc(N2CCOCC2)cc1
InChIKey: FOAQOAXQMISINY-UHFFFAOYSA-N
Summenformel: C11H13NO2
Durchschnittliche Molmasse: 191,23 g/mol
Monoisotopische Masse: 191,09462866

Namen und Bezeichner

Bevorzugter Name: 4-Morpholinobenzaldehyde
IUPAC: 4-morpholin-4-ylbenzaldehyde
Englischer Name: 4-Morpholinobenzaldehyde
Summenformel: C11H13NO2
Molmasse: 191.23

Namen und Synonyme

4-Morpholinobenzaldehyde1204-86-04-(morpholin-4-yl)benzaldehydeDTXSID30303076RefChem:525789DTXCID60254209895-182-94-Morpholin-4-yl-benzaldehyde4-(4-Morpholinyl)benzaldehyde4-(4-Formylphenyl)morpholine4-morpholin-4-ylbenzaldehyde4-morpholinobenzenecarbaldehyde

Weitere Namen anzeigen

AKOS BC-2976AKOS BBS-00004794BUTTPARK 98\50-29IFLAB-BB F1274-0239TIMTEC-BB SBB000299SALOR-INT L481084-1EA

Benzaldehyde, 4-(4-morpholinyl)-MFCD00735826Methanone, 4-morpholinylphenyl-F1274-0239N-(4-formylphenyl)morpholineNSC156543p-morpholinobenzaldehyde4-morpholinylbenzaldehyde

Datenbank-Bezeichner

CAS: 1204-86-0
PubChem CID: 291349
DTXSID: DTXSID30303076
ChEMBL: CHEMBL1874107
EC Number: 895-182-9
Nikkaji: J503.216D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 182

Physikochemische Eigenschaften

Schmelzpunkt: 65 · 65-69 °C
Siedepunkt: 365.5 · 365.5±37.0 °C(Predicted)
Dichte: 1.163 · 1.163±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 1.87 · 1.87±0.40(Predicted)
Farbe: Light yellow to Yellow to Orange
CAS Datenbank: 1204 · 1204-86-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): 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 2 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. 4 (50%)

Sicherheitsdaten

wgk: 3
hs_code: 29349990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-24/25
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-Morpholinobenzaldehyde is mainly used as a raw material for organic synthesis. It can be used to prepare dihydrotetrazolopyrimidine derivatives (ethyl 5-methyl-7-(4-morpholinophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate), coumarin-based chalcone derivatives ((E)-3-[3-(4-(4-morpholinophenyl)acryloyl]-2H-chromen-2-one) and Ru(II) polypyridine complexes, among others.