Methyl 3-amino-4-phenylthiophene-2-carboxylate

HCID 2759782

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Grundinformationen

CAS: 82437-64-7
Standard-SMILES: COC(=O)c1scc(-c2ccccc2)c1N
InChIKey: UKWKMKNACSKDCN-UHFFFAOYSA-N
Summenformel: C12H11NO2S
Durchschnittliche Molmasse: 233,29 g/mol
Monoisotopische Masse: 233,05104977

Namen und Bezeichner

Bevorzugter Name: Methyl 3-amino-4-phenylthiophene-2-carboxylate
IUPAC: methyl 3-amino-4-phenylthiophene-2-carboxylate
Englischer Name: Methyl 3-amino-4-phenylthiophene-2-carboxylate
Summenformel: C12H11NO2S
Molmasse: 233.29

Namen und Synonyme

methyl 3-amino-4-phenylthiophene-2-carboxylate82437-64-7DTXSID10374906RefChem:354833DTXCID90325936672-794-2MFCD002064503-Amino-4-phenyl-2-thiophenecarboxylic acid methyl estermethyl 3-amino-4-phenyl-thiophene-2-carboxylateSCHEMBL1883906UKWKMKNACSKDCN-UHFFFAOYSA-NSBB098105

Weitere Namen anzeigen

Methyl 3-amino-4-phenylthiophene-2-carboxylate ,98%2-Thiophenecarboxylic acid, 3-amino-4-phenyl-, methyl esterJR-8062, Methyl 3-amino-4-phenylthiophene-2-carboxylate, 97%

STL125469AKOS005726350FS-1447SB66984SY0775403-amino-2-methoxycarbonyl-4-phenylthiopheneDB-075843EN300-211151

Datenbank-Bezeichner

CAS: 82437-64-7
PubChem CID: 2759782
DTXSID: DTXSID10374906
EC Number: 672-794-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
Polarare Oberfläche (TPSA): 80,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 253

Physikochemische Eigenschaften

Schmelzpunkt: 69 °C · 69 °C
Dichte: 1.265 · 1.265
storage temp.: 2 · 2-8°C(protect from light)
Aggregatzustand: solid
InChI: InChI=1S/C12H11NO2S/c1-15-12(14)11-10(13)9(7-16-11)8-5-3-2-4-6-8/h2-7H,13H2,1H3
InChIKey: UKWKMKNACSKDCN-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)SC=C(C2=CC=CC=C2)C=1N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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

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

Aggregated GHS information provided per 42 reports by companies from 4 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.