CAS 40611-85-6 Ethyl 4-methyl-1H-pyrrole-2-carboxylate (HCID 643361)

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Grundinformationen

CAS: 40611-85-6
Standard-SMILES: CCOC(=O)c1cc(C)c[nH]1
InChIKey: RWFKYBVNHRKZSN-UHFFFAOYSA-N
Summenformel: C8H11NO2
Durchschnittliche Molmasse: 153,18 g/mol
Monoisotopische Masse: 153,07897859

Namen und Bezeichner

Bevorzugter Name: Ethyl 4-methyl-1H-pyrrole-2-carboxylate
IUPAC: ethyl 4-methyl-1H-pyrrole-2-carboxylate
Englischer Name: 4-Methyl-2-pyrrolecarboxylic acid ethyl ester
Summenformel: C8H11NO2
Molmasse: 153.18

Namen und Synonyme

40611-85-6ethyl 4-methyl-1H-pyrrole-2-carboxylateEthyl 4-Methyl-2-pyrrolecarboxylateDTXSID50349153RefChem:595461DTXCID10300225672-691-24-Methyl-2-pyrrolecarboxylic Acid Ethyl EsterMFCD00191668Ethyl 4-methylpyrrole-2-carboxylateAC-234714-methyl-2-pyrrolecarboxylate ethyl ester

Weitere Namen anzeigen

Ethyl4-Methyl-2-pyrrolecarboxylate>Methylpyrrolecarboxylicacidethylester1-ethyl-4-Methyl-1H-pyrrole-2-carboxylateETHYL 4-METHYL-2-PYRROLECARBOXYLATE / 40611-85-64-METHYL-2-PYRROLECARBOXYLIC ACID ETHYL ESTER 98+%

4-methyl-1 H-pyrrole-2-carboxylic acid ethyl esterEthyl4-Methyl-2-pyrrolecarboxylate4-Methyl-1H-pyrrole-2-carboxylic acid ethyl ester1H-Pyrrole-2-carboxylic acid, 4-methyl-, ethyl esterAM20120624FT-06020743-methyl-5-carbethoxypyrroleSCHEMBL2148753

Datenbank-Bezeichner

CAS: 40611-85-6
PubChem CID: 643361
DTXSID: DTXSID50349153

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 42,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 147

Physikochemische Eigenschaften

Schmelzpunkt: 43 °C · 43°C
Siedepunkt: 104 °C · 104°C 1mm
Dichte: 1.106 · 1.106
Flammpunkt: 114 ℃ · 114℃
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 15.54 · 15.54±0.50(Predicted)
Farbe: White to Almost white

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

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