2-Methoxythiophen

2-Methoxythiophene

HCID 85610

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Grundinformationen

CAS: 16839-97-7
Standard-SMILES: COc1cccs1
InChIKey: OKEHURCMYKPVFW-UHFFFAOYSA-N
Summenformel: C5H6OS
Durchschnittliche Molmasse: 114,17 g/mol
Monoisotopische Masse: 114,01393598

Namen und Bezeichner

Bevorzugter Name: 2-Methoxythiophene
IUPAC: 2-methoxythiophene
Lokaler Name: 2-Methoxythiophen
Englischer Name: 2-Methoxythiophene
Summenformel: C5H6OS
Molmasse: 114.17

Namen und Synonyme

2-Methoxythiophene16839-97-7Thiophene, 2-methoxy-EINECS 240-863-2DTXSID60168559RefChem:87950DTXCID1091050240-863-2InChI=1/C5H6OS/c1-6-5-3-2-4-7-5/h2-4H,1HOKEHURCMYKPVFW-UHFFFAOYSA-N130410-20-72-methoxy-thiophene

Weitere Namen anzeigen

Methoxythiophene2-Methoxythiophene>2-Methoxythiophene 97%2-Methoxythiophene,99%2-Methoxythiophene,97%METHYL 2-THIENYL ETHER2-Methoxythiophene ISO 9001：2015 REACH

MFCD000145262-methoxy thiophene2-Methoxythiophene #2-(methyloxy)thiophene2-Methoxythiophene, 97%SCHEMBL73652SCHEMBL247102SCHEMBL383629

Datenbank-Bezeichner

CAS: 16839-97-7
PubChem CID: 85610
DTXSID: DTXSID60168559
ChEBI: CHEBI:229346
EC Number: 240-863-2
Nikkaji: J151.062B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 37,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 7
Formalladung: 0
Komplexität: 56

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index878

Physikochemische Eigenschaften

Siedepunkt: 151 · 151-152 °C/762 mmHg (lit.)
Dichte: 1.133 g/mL · 1.133 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.528(lit.)
Flammpunkt: 110 °F · 110 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Methanol (Slightly)
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow to Light orange
BRN: 106271 · 106271
InChI: InChI=1S/C5H6OS/c1-6-5-3-2-4-7-5/h2-4H,1H3
InChIKey: OKEHURCMYKPVFW-UHFFFAOYSA-N
SMILES: C1(OC)SC=CC=1
LogP: 2.13 · 2.130
CAS Datenbank: 16839 · 16839-97-7(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Methoxythiophene(16839-97-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.