Methyl-2-methylfuran-3-carboxylat

Methyl 2-methylfuran-3-carboxylate

HCID 80237CAS 6141-58-8

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Grundinformationen

Standard-SMILES: COC(=O)c1ccoc1C
InChIKey: UVRRIABXNIGUJZ-UHFFFAOYSA-N
Summenformel: C7H8O3
Durchschnittliche Molmasse: 140,14 g/mol
Monoisotopische Masse: 140,04734412

Namen und Bezeichner

Bevorzugter Name: Methyl 2-methylfuran-3-carboxylate
IUPAC: methyl 2-methylfuran-3-carboxylate
Lokaler Name: Methyl-2-methylfuran-3-carboxylat
Englischer Name: METHYL 2-METHYL-3-FUROATE
Summenformel: C7H8O3
Molmasse: 140.14

Namen und Synonyme

Methyl 2-methylfuran-3-carboxylateMethyl 2-methyl-3-furancarboxylate3-Furancarboxylic acid, 2-methyl-, methyl ester3-Furoic acid, 2-methyl-, methyl esterEINECS 228-132-6DTXSID40210343RefChem:157362DTXCID40132834228-132-6UVRRIABXNIGUJZ-UHFFFAOYSA-N6141-58-8Methyl 2-methyl-3-furoate

Weitere Namen anzeigen

Methyl 2-methylfurane-3-carboxylate2-Methyl-3-furancarboxylic acid methyl esterCompound Fr13769AKOS BBS-000043842-methyl-3-acidmethyl esterMethyl 2-methyl-3-furoate,97%

MFCD00003249AS-43527Methyl 2-methyl-3-furancarboxylate, 99%EN300-187272-Methyl-furan-3-carboxylic acid methyl esterFT-0612942A849586SCHEMBL701960

Datenbank-Bezeichner

CAS: 6141-58-8
PubChem CID: 80237
DTXSID: DTXSID40210343
EC Number: 228-132-6
Nikkaji: J110.552C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 39,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 133

Physikochemische Eigenschaften

Siedepunkt: 75 °C20 · 75 °C20 mm Hg(lit.)
Dichte: 1.116 g/mL · 1.116 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.473(lit.)
Flammpunkt: 147 °F · 147 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: liquid
BRN: 1342040 · 1342040
InChI: InChI=1S/C7H8O3/c1-5-6(3-4-10-5)7(8)9-2/h3-4H,1-2H3
InChIKey: UVRRIABXNIGUJZ-UHFFFAOYSA-N
SMILES: O1C=CC(C(OC)=O)=C1C
LogP: 1.73 · 1.730 (est)
CAS Datenbank: 6141 · 6141-58-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H227 (50%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationChemical: 3-Furancarboxylic acid, 2-methyl-, methyl ester

Hazard Classes and CategoriesFlam. Liq. 4 (50%)

Sicherheitsdaten

wgk: 3
hs_code: 29321900
safety_code: 24/25
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen

VerwendenMethyl 2-methyl-3-furoate is a useful building block used in a variety of synthetic applications, such as the nickel-catalyzed amide bond formation from methyl esters, and gold-catalyzed arylation by arylsilanes.