2-Fursaeure
2-Furancarboxylic acid
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Grundinformationen
- CAS
26447-28-9- Standard-SMILES
O=C(O)c1ccco1- InChIKey
SMNDYUVBFMFKNZ-UHFFFAOYSA-N- Summenformel
- C5H4O3
- Durchschnittliche Molmasse
- 112,08 g/mol
- Monoisotopische Masse
- 112,01604399
Überblick
2-furoic acid is a furoic acid having the carboxylic acid group located at position 2. It has a role as an inhibitor, a Saccharomyces cerevisiae metabolite, a plant metabolite, a human xenobiotic metabolite and a bacterial xenobiotic metabolite. It is a conjugate acid of a 2-furoate.
Namen und Bezeichner
- Bevorzugter Name
- 2-Furancarboxylic acid
- IUPAC
- furan-2-carboxylic acid
- Lokaler Name
- 2-Fursaeure
- Englischer Name
- Furancarboxylic acid
- Summenformel
- C5H4O3
- Molmasse
- 112.08
Namen und Synonyme
2-FUROIC ACID88-14-22-Furancarboxylic acidPyromucic acid2-Carboxyfuranalpha-Furoic acid2-furanoic acidalpha-Furancarboxylic acidDTXSID6041420NSC-8842P577F6494ADTXCID4021420
Weitere Namen anzeigen
CHEBI:30845NSC-58965RefChem:909849201-803-0Furan-2-carboxylic acidFUROIC ACIDFurancarboxylic acid26447-28-9
Datenbank-Bezeichner
- CAS
26447-28-9、88-14-2- PubChem CID
- 6919
- DTXSID
DTXSID6041420- ChEMBL
CHEMBL1232797- ChEBI
CHEBI:30845- UNII
- P577F6494A
- EC Number
- 201-803-0、247-713-5
- Nikkaji
- J4.288I
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,5
- 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 PropertiesBoiling point
LogP
0.64
0.64
Flavoring AgentsEU Flavoring substances
Solubility37.1 mg/mL at 15 °C
Boiling Point230.00 to 232.00 °C. @ 760.00 mm Hg
Melting Point133.5 °C
Physical Description
Liquid
Solid
Physikochemische Eigenschaften
- Schmelzpunkt
- 133 °C · 133°C
- Siedepunkt
- 149.97 °C · 149.97°C (rough estimate)
- Dichte
- 1.2552 · 1.2552 (rough estimate)
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
This chemical does not meet GHS hazard criteria for 34.8% (89 of 256) of reports.
Warning
H315 (64.5%): 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 256 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Furancarboxylic acid
Chemical: Furancarboxylic acid
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Furancarboxylic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Furancarboxylic acid are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 01-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20061
2-Furancarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information
IMAP assessments - Furancarboxylic acid: Environment tier I assessment
IMAP assessments - 2-Furancarboxylic acid: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (64.5%)
Sicherheitsdaten
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 46,843 lb
Consumer UsespH regulating agent
General Manufacturing Information
2-Furancarboxylic acid: ACTIVE
Furancarboxylic acid: INACTIVE
Zugehörige Reaktionen
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Notizen zur Verbindung
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