Methyl 3-thiophenecarboxylate

HCID 574151CAS 22913-26-4

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Grundinformationen

Standard-SMILES: COC(=O)c1ccsc1
InChIKey: ZTRAEMILTFNZSM-UHFFFAOYSA-N
Summenformel: C6H6O2S
Durchschnittliche Molmasse: 142,18 g/mol
Monoisotopische Masse: 142,00885043

Namen und Bezeichner

Bevorzugter Name: Methyl 3-thiophenecarboxylate
IUPAC: methyl thiophene-3-carboxylate
Englischer Name: Methyl 3-thiophenecarboxylate 97
Summenformel: C6H6O2S
Molmasse: 142.18

Namen und Synonyme

Methyl 3-thiophenecarboxylate22913-26-43-Thiophenecarboxylic acid, methyl esterDTXSID20341583RefChem:815645DTXCID40292664628-219-2methyl thiophene-3-carboxylateMFCD06203810THIOPHENE-3-CARBOXYLIC ACID METHYL ESTERMethyl 3-thiophenecarboxylate, 97%GEO-04563

Weitere Namen anzeigen

THOO1Methyl 3-thiophenecarboxylate 97Methyl Thiophene-3-carboxylate >Thiophene-3-carboxylic acid methyl ester3- thiophene carboxylic acidMethyl esterMETHYL 3-THIOPHENECARBOXYLATE 97 ISO 9001：2015 REACH

3-thiophene carboxylic acid methyl esterSY019965EN300-901703-methoxycarbonylthiophenemethyl-3-thenoateFT-06596123-methoxy carbonyl-thiopheneA816420

Datenbank-Bezeichner

CAS: 22913-26-4
PubChem CID: 574151
DTXSID: DTXSID20341583
EC Number: 628-219-2
Nikkaji: J1.396.171I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 54,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 114

Physikochemische Eigenschaften

Siedepunkt: 98 °C/10 · 98 °C/10 mmHg (lit.)
Dichte: 1.174 g/mL · 1.174 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.5380(lit.)
Flammpunkt: 172 °F · 172 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
InChI: 1S/C6H6O2S/c1-8-6(7)5-2-3-9-4-5/h2-4H,1H3
InChIKey: ZTRAEMILTFNZSM-UHFFFAOYSA-N
SMILES: COC(=O)c1ccsc1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.