3-Fursaeure

3-Furoic acid

HCID 10268CAS 488-93-7

Grundinformationen

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 Struktureigenschaften

XLogP
1
Polarare Oberfläche (TPSA)
50,4 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
1
Schwere Atome
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)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm
Anwendungen · 2 Einträge

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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INTATRADE GmbH+49 3493/605464 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A furoic acid carrying the carboxy group at position 3.

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