methyl 4H-furo[3,2-b]pyrrole-5-carboxylate

HCID 5082263CAS 77484-99-2

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Grundinformationen

Standard-SMILES: COC(=O)c1cc2occc2[nH]1
InChIKey: LIIJOCBTGRORSY-UHFFFAOYSA-N
Summenformel: C8H7NO3
Durchschnittliche Molmasse: 165,15 g/mol
Monoisotopische Masse: 165,04259309

Namen und Bezeichner

Bevorzugter Name: methyl 4H-furo[3,2-b]pyrrole-5-carboxylate
IUPAC: methyl 4H-furo[3,2-b]pyrrole-5-carboxylate
Englischer Name: METHYL 4H-FURO[3,2-B]PYRROLE-5-CARBOXYLATE
Summenformel: C8H7NO3
Molmasse: 165.15

Namen und Synonyme

methyl 4H-furo[3,2-b]pyrrole-5-carboxylate77484-99-2DTXSID40408147methyl 4H-furo(3,2-b)pyrrole-5-carboxylateRefChem:355849DTXCID20358999641-193-74H-Furo[3,2-b]pyrrole-5-carboxylic acid methyl esterMFCD06797487methyl 4~{H}-furo[3,2-b]pyrrole-5-carboxylate4H-Furo[3,2-b]pyrrole-5-carboxylic acid methylesterSCHEMBL989408

Weitere Namen anzeigen

Methyl 4H-furo[3,2-b]pyrrol-5-carboxylate5-(Methoxycarbonyl)-4H-furo[3,2-b]pyrroleMethyl4H-furo[3,2-b]pyrrole-5-carboxylate97%Methyl 4H-furo[3,2-b]pyrrole-5-carboxylate 97%4H-Furo3,2-bpyrrol-5-carboxylic acid methyl esterfuropyrrole-5-carboxylic acid Methyl ester4H-Furo[3,2-b]pyrrole-5-carboxylic acid, methyl ester (9CI, ACI)

CHEMBL4247887BBL012140SBB087888STK894048AKOS000678658AS-5467FM155237methyl furano[2,3-d]pyrrole-5-carboxylate

Datenbank-Bezeichner

CAS: 77484-99-2
PubChem CID: 5082263
DTXSID: DTXSID40408147
ChEMBL: CHEMBL4247887
EC Number: 641-193-7
Nikkaji: J1.599.193C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 55,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 195

Physikochemische Eigenschaften

Schmelzpunkt: 139 °C · 139 °C
Siedepunkt: 286.4 · 286.4±20.0 °C(Predicted)
Dichte: 1.347 · 1.347±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Aggregatzustand: solid
pka: 14.22 · 14.22±0.30(Predicted)
Farbe: Brown
CAS Datenbank: 77484 · 77484-99-2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): 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 41 reports by companies from 4 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.