3-Furancarboxaldehyde, tetrahydro-

HCID 157568CAS 79710-86-4

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Grundinformationen

Standard-SMILES: O=CC1CCOC1
InChIKey: GSUBXIVOZXWGKF-UHFFFAOYSA-N
Summenformel: C5H8O2
Durchschnittliche Molmasse: 100,12 g/mol
Monoisotopische Masse: 100,0524295

Namen und Bezeichner

Bevorzugter Name: 3-Furancarboxaldehyde, tetrahydro-
IUPAC: oxolane-3-carbaldehyde
Englischer Name: Tetrahydrofuran-3-carboxaldehyde
Summenformel: C5H8O2
Molmasse: 100.12

Namen und Synonyme

Tetrahydrofuran-3-carbaldehyde79710-86-43-Furancarboxaldehyde, tetrahydro-tetrahydro-3-furancarboxaldehydeDTXSID60888563EC 629-664-5RefChem:502102DTXCID601027839629-664-5oxolane-3-carbaldehydeTETRAHYDROFURAN-3-CARBOXALDEHYDEtetrahydro-3-furancarbaldehyde

Weitere Namen anzeigen

3-Formyl-THFtetrahydro-3-furaldehyd3-formyltetrahydrofuranvtetrahydro-3-furancarbaldehydetetrahydro-3-furancarboxaldehyd

MFCD02101976tetrahydrofuran-3-carboxyaldehyde(oxolan-3-yl)formaldehydeSCHEMBL67754AKOS000121109CS-W004272SY046752Tetrahydrofuran-3-carbaldehyde, 50% in water

Datenbank-Bezeichner

CAS: 79710-86-4
PubChem CID: 157568
DTXSID: DTXSID60888563
ChEMBL: CHEMBL2228161
EC Number: 629-664-5
Nikkaji: J876.205H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,3
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 7
Formalladung: 0
Komplexität: 70,5

Physikochemische Eigenschaften

Siedepunkt: 99 °C · 99 °C
Dichte: 1.106 g/mL · 1.106 g/mL at 25 °C
Brechungsindex: 20 · n20/D 1.416
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: Liquid
InChI: 1S/C5H8O2/c6-3-5-1-2-7-4-5/h3,5H,1-2,4H2
InChIKey: GSUBXIVOZXWGKF-UHFFFAOYSA-N
SMILES: O=CC1CCOC1
EPA chemische Informationen: 3 · 3-Furancarboxaldehyde, tetrahydro- (79710-86-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (72.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 146 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 18-02-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/11049

Hazard Classes and CategoriesAcute Tox. 4 (72.6%)

Sicherheitsdaten

wgk: -
tsca: TSCA listed
hs_code: 2912490090
risk_code: 5-19-41
hazard_code: Xi
safety_code: 26-36/37/39-39
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Dam. 1

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information3-Furancarboxaldehyde, tetrahydro-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden2-(Tetrahydrofuran-3-yl)acetaldehyde is a reagent used in the preparation of several pharmaceutical agents. It is used in the prepoaration of ortho-amino benzamides and nicotinamides as MCHr1 (Melanin-concentrating hormone receptor 1) antagonists, used in the therapeutic treatment of obesity. Also used in the pereparation of Tsg101-directed HIV-1 budding antagonists for application towards late-stage HIV-1 infection.