3-Furaldehyde

HCID 10351CAS 498-60-2
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

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

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/732 · 144 °C/732 mmHg (lit.)
Dichte
1.111 g/mL · 1.111 g/mL at 25 °C (lit.)
Brechungsindex
20 · n20/D 1.493(lit.)
Flammpunkt
119 °F · 119 °F
storage temp.
2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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

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 · 1 Eintrag

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.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: 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 a member of furans and an aldehyde. It derives from a hydride of a furan.

Zugehörige Reaktionen

195
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…