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HCID 89095Erstellt: 26. Oktober 2026

1-Methyl-1H-pyrrol-2-essigsure

2-(1-Methyl-1H-pyrrol-2-yl)acetic acid · Einecs 244-645-8 · 1-Methyl-pyrrole-2-acetic acid · 1-methyl-1H-pyrrole-2-acetic acid · 2-(1-Methyl-2-pyrrolyl)acetic Acid · 1H-Pyrrole-2-acetic acid, 1-methyl- · 1-Methylpyrrole-2-acetic acid, >=98% · (1-Methyl-1H-pyrrol-2-yl)-acetic acid

https://huagongshe.com/de/chemical/89095

Molekülstruktur von 1-Methyl-1H-pyrrol-2-essigsure

Identifikatoren & physikalische Daten

CAS No.21898-59-9
SummenformelC7H9NO2
Durchschnittliche Molmasse139,15 g/mol
Monoisotopische Masse139,06332853 g/mol
SMILESCn1cccc1CC(=O)O
InChIKeySYYOUHJJSOLSJD-UHFFFAOYSA-N
PubChem CID89095
EC No.244-645-8
DTXSIDDTXSID70176302
Lokaler Name1-Methyl-1H-pyrrol-2-essigsure

Chemische & physikalische Eigenschaften

XLogP0,2
Polarare Oberfläche (TPSA)42,2
H-Brücken-Donoren1
H-Brücken-Akzeptoren2
Frei drehbare Bindungen2
Schwere Atome10
Formalladung0
Komplexität136
Schmelzpunkt113 °C
Siedepunkt282.9±15.0 °C(Predicted)
Dichte1.14±0.1 g/cm3(Predicted)
Lagerbedingungen2-8°C
pKa (Säurekonstante)4.48±0.10(Predicted)
InChIInChI=1S/C7H9NO2/c1-8-4-2-3-6(8)5-7(9)10/h2-4H,5H2,1H3,(H,9,10)
InChIKeySYYOUHJJSOLSJD-UHFFFAOYSA-N
SMILESN1(C)C=CC=C1CC(O)=O

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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