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HCID 3596751Erstellt: 26. Oktober 2026

4-(4-methoxyphenyl)-1H-pyrazole

4-(4-Methoxyphenyl)-1H-pyrazole · 1H-Pyrazole, 4-(4-methoxyphenyl)-

https://huagongshe.com/de/chemical/3596751

Molekülstruktur von 4-(4-methoxyphenyl)-1H-pyrazole

Identifikatoren & physikalische Daten

CAS No.111016-45-6
SummenformelC10H10N2O
Durchschnittliche Molmasse174,2 g/mol
Monoisotopische Masse174,07931295 g/mol
SMILESCOc1ccc(-c2cn[nH]c2)cc1
InChIKeyULHLFXBETPFBLH-UHFFFAOYSA-N
PubChem CID3596751
EC No.845-588-7

Chemische & physikalische Eigenschaften

XLogP1,8
Polarare Oberfläche (TPSA)37,9
H-Brücken-Donoren1
H-Brücken-Akzeptoren2
Frei drehbare Bindungen2
Schwere Atome13
Formalladung0
Komplexität155
Schmelzpunkt211-213 °C
Siedepunkt374.7±35.0 °C(Predicted)
Dichte1.159±0.06 g/cm3(Predicted)
LagerbedingungenStore at room temperature
pKa (Säurekonstante)14.45±0.50(Predicted)
Aggregatzustandsolid
InChI1S/C10H10N2O/c1-13-10-4-2-8(3-5-10)9-6-11-12-7-9/h2-7H,1H3,(H,11,12)
InChIKeyULHLFXBETPFBLH-UHFFFAOYSA-N
SMILESCOC1=CC=C(C=C1)C2=CNN=C2

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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 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.
Hazard Classes and CategoriesAcute Tox. 4 (100%)Skin Irrit. 2 (50%)Eye Irrit. 2A (50%)STOT SE 3 (50%)
Wassergefährdungsklasse (WGK)WGK 3
Zollcode2933199090
Lagerklasse11 - Combustible Solids
GefahrenklasseAcute Tox. 4 Oral