CAS 2199-46-4 Ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate (HCID 137479)

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Grundinformationen

CAS: 2199-46-4
Standard-SMILES: CCOC(=O)c1[nH]c(C)c(C)c1C
InChIKey: WBOGFZDTCIQHSX-UHFFFAOYSA-N
Summenformel: C10H15NO2
Durchschnittliche Molmasse: 181,23 g/mol
Monoisotopische Masse: 181,11027872

Namen und Bezeichner

Bevorzugter Name: Ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate
IUPAC: ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate
Englischer Name: Ethyl 3,4,5-trimethylpyrrole-2-carboxylate
Summenformel: C10H15NO2
Molmasse: 181.23

Namen und Synonyme

2199-46-4Ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylateEthyl 3,4,5-trimethylpyrrole-2-carboxylateMFCD000519481H-Pyrrole-2-carboxylic acid, 3,4,5-trimethyl-, ethyl esterETHYL 3,4,5-TRIMETHYL-2-PYRROLECARBOXYLATE1H-Pyrrole-2-carboxylic acid, 3,4,5-trimethyl, ethyl esterMaybridge1_001943MLS000042963SCHEMBL2565795CHEMBL1701700HMS547A07

Weitere Namen anzeigen

AT-51095thyl 3,4,5-trimethylpyrrole-2-carboxylateETHYL 4-METHYL-3,5-DIMETHYLPYRROLE-2-CARBOXYLATE3,4,5-Trimethylpyrrole-2-carboxylic acid ethyl ester3,4,5-TRIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTERPyrrole-2-carboxylic acid, 3,4,5-trimethyl-, ethyl ester

DTXSID60176412HMS2365M21NSC 15767NSC-15767SBB059495STK726990AKOS0055244692,3,4-Trimethyl-5-carbethoxy-pyrrole

Datenbank-Bezeichner

CAS: 2199-46-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 42,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 193

Physikochemische Eigenschaften

Schmelzpunkt: 125 · 125-126°C
Siedepunkt: 298.1 · 298.1±35.0 °C(Predicted)
Dichte: 1.059 · 1.059±0.06 g/cm3(Predicted)
pka: 16.57 · 16.57±0.50(Predicted)
BRN: 132613 · 132613

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

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

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

safety_code: 24/25

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenOctamethylporphyrin was readily obtained from ethyl 3,4,5-trimethylpyrrole-2-carboxylate. Steric control can be overridden by apparent electronic effect is demonstrated by the even bulkier pyrrole derivative, ethyl 3,4,5-trimethylpyrrole-2-carboxylate. The reaction with diazonium salts of theEthyl 3,4,5-trimethylpyrrole-2-carboxylatehas been examined in detail by chromatographic and spectroscopic methods. In the presence of a strong mineral acid, Ethyl 3,4,5-trimethylpyrrole-2-carboxylate reacts with p-nitrobenzenediazonium ions to give a red, chemically labile, azo dye.