3-Fursaeure
3-Furoic acid
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Grundinformationen
- CAS
488-93-7- Standard-SMILES
O=C(O)c1ccoc1- InChIKey
IHCCAYCGZOLTEU-UHFFFAOYSA-N- Summenformel
- C5H4O3
- Durchschnittliche Molmasse
- 112,08 g/mol
- Monoisotopische Masse
- 112,01604399
Überblick
3-furoic acid is a furoic acid carrying the carboxy group at position 3. It has a role as a human metabolite. It is a conjugate acid of a 3-furoate.
Namen und Bezeichner
- Bevorzugter Name
- 3-Furoic acid
- IUPAC
- furan-3-carboxylic acid
- Lokaler Name
- 3-Fursaeure
- Englischer Name
- 3-Furoic acid
- Summenformel
- C5H4O3
- Molmasse
- 112.08
Namen und Synonyme
3-FUROIC ACIDfuran-3-carboxylic acid488-93-73-Furancarboxylic acid3-carboxyfuran88A3S7RG98EINECS 207-689-9NSC 349941NSC-349941CHEBI:30846DTXSID50197611RefChem:502121
Weitere Namen anzeigen
3-Furioc Acid3-Furoicacid,99%3-FUROIC ACID 99%3-Furoic acid ,98%TIMTEC-BB SBB004325
3-Furancarboxylic acid (9CI)DTXCID10120102207-689-93-Furanoic acidMFCD00005350UNII-88A3S7RG983-Furancarboxylic Acid; 3-Carboxyfuran; 3-Furanoic Acid; NSC 3499413-Furanoate
Datenbank-Bezeichner
- CAS
488-93-7- PubChem CID
- 10268
- DTXSID
DTXSID50197611- ChEBI
CHEBI:30846- UNII
- 88A3S7RG98
- EC Number
- 207-689-9
- Nikkaji
- J64G
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 50,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 99,8
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesChemical shift
LogP1.03
Solubility64 mg/mL
Melting Point120 - 122 °C
Physical DescriptionSolid
Physikochemische Eigenschaften
- Schmelzpunkt
- 120 · 120-122 °C (lit.)
- Siedepunkt
- 229.64 °C · 229.64°C
- Dichte
- 1.322 · 1.3220
- Brechungsindex
- 1.471 · 1.4710 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 3.9 · 3.9(at 25℃)
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information3-Furancarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29321900
- risk_code
- 36/37/38-34
- hazard_code
- Xi,C
- safety_code
- 26-36/37-45-36/37/39-36
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Anwendungen
Beschreibung3-Furoic acid, also known as 3-carboxyfuran or 3-furoate, belongs to the class of organic compounds known as furoic acids. These are organic compounds containing a furoic acid moiety, with a structure characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom. 3-Furoic acid is an organic acid regularly occurring in urine of healthy individuals. It is used in synthesis of furan-2,5- and furan-2,4-dicarboxylic acid under solvent-free conditions via disproportionation reaction. It exhibits hypolipidemic activity in rodents. It lowers serum cholesterol and serum triglyceride levels in mice and rats.
Verwenden3-Furoic acid can be used as a reactant to synthesize:Furan-2,5- and furan-2,4-dicarboxylic acid under solvent-free conditions via disproportionation reaction.(±)-Hyperolactone A by reacting with 2-methylbutanal.Furo[2,3-b]pyridin-4-one-5-carboxylate ester derivatives as potential non-nucleoside inhibitors of human herpesvirus polymerases.
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