Furan-2-carbonsure

2-Furancarboxylic acid

HCID 6919CAS 26447-28-9

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Grundinformationen

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 Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 50,4 Å²
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 · 2 Einträge

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

Physikochemische Eigenschaften

Schmelzpunkt: 133 °C · 133°C
Siedepunkt: 149.97 °C · 149.97°C (rough estimate)
Dichte: 1.2552 · 1.2552 (rough estimate)
Brechungsindex: 1.439 · 1.4390 (estimate)
EPA chemische Informationen: Furancarboxylic acid (26447-28-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 · 6 Einträge

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 · 2 Einträge

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%)