Methyl 3-methylthiophene-2-carboxylate

HCID 580757

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Grundinformationen

CAS: 81452-54-2
Standard-SMILES: COC(=O)c1sccc1C
InChIKey: BRWROFVPMUPMJQ-UHFFFAOYSA-N
Summenformel: C7H8O2S
Durchschnittliche Molmasse: 156,2 g/mol
Monoisotopische Masse: 156,0245005

Namen und Bezeichner

Bevorzugter Name: Methyl 3-methylthiophene-2-carboxylate
IUPAC: methyl 3-methylthiophene-2-carboxylate
Englischer Name: METHYL 3-METHYLTHIOPHENE-2-CARBOXYLATE
Summenformel: C7H8O2S
Molmasse: 156.2

Namen und Synonyme

methyl 3-methylthiophene-2-carboxylate81452-54-22-Thiophenecarboxylic acid, 3-methyl-, methyl esterDTXSID90342325RefChem:157512DTXCID50293405963-220-4InChI=1/C7H8O2S/c1-5-3-4-10-6(5)7(8)9-2/h3-4H,1-2HMFCD00234332Methyl 3-methyl-2-thiophenecarboxylate3-Methyl-thiophene-2-carboxylic acid methyl esterSCHEMBL157777

Weitere Namen anzeigen

RARECHEM AL BF 01783-Methylthiophene-2-Cabroxylate3-methylthiophene-2-carboxylateMethyl 3-methylthienyl-2-carboxylateEethyl3-methylthiophene-2-carboxylateMethyl 3-Methylthiophene-2-carboxylate >Methyl 3-methylthiophene-2-carboxylate ,99%3-Methylthiophen-2-carboxylic acid methyl ester3-methyl-2-thiophenecarboxylic acid methyl ester

METHYL 3-METHYL-THIOPHENE-2-CARBOXYLATECS-W002557DS-11175Methyl 3-methyl-2-thiophenecarboxylate #M2662EN300-719263-methylthiophene-2-carboxylic acid methyl esterAMY33482

Datenbank-Bezeichner

CAS: 81452-54-2
PubChem CID: 580757
DTXSID: DTXSID90342325
EC Number: 963-220-4
Nikkaji: J2.692.734J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 54,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 136

Physikochemische Eigenschaften

Siedepunkt: 216 · 216-217°C
Dichte: 1.173 · 1.173±0.06 g/cm3(Predicted)
Brechungsindex: 1.5168 · 1.5168
Flammpunkt: 216 · 216-217°C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
BRN: 116836 · 116836
InChI: InChI=1S/C7H8O2S/c1-5-3-4-10-6(5)7(8)9-2/h3-4H,1-2H3
InChIKey: BRWROFVPMUPMJQ-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)SC=CC=1C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.