3-Furaldehyde
Grundinformationen
- CAS
498-60-2- Standard-SMILES
O=Cc1ccoc1- InChIKey
AZVSIHIBYRHSLB-UHFFFAOYSA-N- Summenformel
- C5H4O2
- Durchschnittliche Molmasse
- 96,08 g/mol
- Monoisotopische Masse
- 96,02112937
Überblick
3-furaldehyde is an aldehyde that is furan substituted by a formyl group at position 3. It has a role as a metabolite. It is an aldehyde and a member of furans. It derives from a hydride of a furan.
Namen und Bezeichner
- Bevorzugter Name
- 3-Furaldehyde
- IUPAC
- furan-3-carbaldehyde
- Englischer Name
- 3-Furaldehyde
- Summenformel
- C5H4O2
- Molmasse
- 96.08
Namen und Synonyme
3-Furaldehydefuran-3-carbaldehyde3-FurancarboxaldehydeFuran-3-carboxaldehyde3-Formylfuran3-furfural3-furancarbaldehydeUNII-POB632X444CHEBI:87609POB632X444DTXSID401980763furancarboxaldehyde
Weitere Namen anzeigen
3FCHOSKL0743-FalfuralBETA-FURFURAL3-Formylofuran
RefChem:93992DTXCID70120567629-448-0AZVSIHIBYRHSLB-UHFFFAOYSA-NInChI=1/C5H4O2/c6-3-5-1-2-7-4-5/h1-4UN1199498-60-2MFCD00010424
Datenbank-Bezeichner
- CAS
498-60-2- PubChem CID
- 10351
- DTXSID
DTXSID40198076- ChEMBL
CHEMBL2228160- ChEBI
CHEBI:87609- UNII
- POB632X444
- EC Number
- 629-448-0
- Nikkaji
- J95.449G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,5
- Polarare Oberfläche (TPSA)
- 30,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 70,5
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Aldehydes
SpringerMaterials PropertiesChemical shift
LogP0.51
Vapor Pressure5.33 [mmHg]
Physical DescriptionYellow or brown liquid with an almond-like odor; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 148 · 148-149.5 °C
- Siedepunkt
- 144 °C · 144 °C
- Dichte
- 1.15 · 1.15
- Brechungsindex
- 1.5 · 1.50
- Flammpunkt
- 48 °C · 48 °C
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Soluble), Ethyl Acetate (Slightly)
- Aggregatzustand
- clear liquid
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information3-Furancarboxaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; Highly toxic by ingestion and inhalation; [Alfa Aesar MSDS] See Furfural.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Sicherheitsdaten
- F
- 8-10
- wgk
- 3
- ridadr
- UN 1989 3/PG 3
- hs_code
- 2932190090
- risk_code
- 10-36/37/38-23/25-21
- hazard_code
- Xi,F,T
- hazard_note
- Flammable/Harmful
- safety_code
- 26-36-45-36/37-16-3
- hazard_class
- 3
Chemie und Industrie
Anwendungen
Verwenden3-Furaldehyde is a volatile compound of honey of various floral origin. It is used to produce N-furan-3-ylmethylene-N'-pyridin-2-yl-hydrazine by reaction with 2-hydrazino-pyridine. It is also used as a solvent.
Darstellung
synthetischesynthesis of 3-furaldehyde: dissolve 3-furanmethanol (12.0g,0.12mol,1.0eq) in tetrahydrofuran (500ml), add manganese dioxide (156.4g,1.2mol,10.0eq), stir for 18 hours at room temperature, tlc showed that the reaction was completed. the product (9.0g crude) was obtained by filtration and the filtrate was concentrated.
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