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HCID 73825Erstellt: 27. Oktober 2026

5-Methyl-1H-4-carbonsure

EINECS 215-944-0 · 5-methyl-1H-4-carboxylic acid · 5-Methyl-4-imidazolecarboxylic Acid · 5-Methylimidazole-4-carboxylic acid · 5-Methyl-4-imidazolylcarboxylic acid · 5-Methyl-1H-imidazole-4-carboxylic acid · 4(5)-methylimidazole-5(4)-carboxylic acid · 1H-imidazole-5-carboxylic acid, 4-methyl-

https://huagongshe.com/de/chemical/73825

Molekülstruktur von 5-Methyl-1H-4-carbonsure

Identifikatoren & physikalische Daten

CAS No.1457-59-6
SummenformelC5H6N2O2
Durchschnittliche Molmasse126,11 g/mol
Monoisotopische Masse126,04292743 g/mol
SMILESCc1[nH]cnc1C(=O)O
InChIKeyULHLTDXPKWELHQ-UHFFFAOYSA-N
PubChem CID73825
ChEBICHEBI:74747
EC No.215-944-0
DTXSIDDTXSID80163142
Lokaler Name5-Methyl-1H-4-carbonsure

Chemische & physikalische Eigenschaften

XLogP0,3
Polarare Oberfläche (TPSA)66
H-Brücken-Donoren2
H-Brücken-Akzeptoren3
Frei drehbare Bindungen1
Schwere Atome9
Formalladung0
Komplexität126
Siedepunkt458.2±25.0 °C(Predicted)
Dichte1.404±0.06 g/cm3(Predicted)
Lagerbedingungen2-8°C
LöslichkeitAqueous Base (Slightly), DMSO (Slightly), Methanol (Slightly)
pKa (Säurekonstante)2.36±0.31(Predicted)
AggregatzustandSolid
FarbePale Brown to Brown
StabilitätHygroscopic
InChI1S/C5H6N2O2/c1-3-4(5(8)9)7-2-6-3/h2H,1H3,(H,6,7)(H,8,9)
InChIKeyULHLTDXPKWELHQ-UHFFFAOYSA-N
SMILESCc1nc[nH]c1C(O)=O

Sicherheit & Vorschriften

GHS-EinstufungWarningH315 (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.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)WGK 3
Lagerklasse11 - Combustible Solids
GefahrenklasseEye Irrit. 2Skin Irrit. 2STOT SE 3