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HCID 136241Erstellt: 26. Oktober 2026

[1,2,4]Triazolo[1,5-a]pyrazine

(1,2,4)Triazolo(1,5-a)pyrazine

https://huagongshe.com/de/chemical/136241

Molekülstruktur von [1,2,4]Triazolo[1,5-a]pyrazine

Identifikatoren & physikalische Daten

CAS No.399-66-6
SummenformelC5H4N4
Durchschnittliche Molmasse120,11 g/mol
Monoisotopische Masse120,04359615 g/mol
SMILESc1cn2ncnc2cn1
InChIKeyDFDJVPRVKHSWQH-UHFFFAOYSA-N
PubChem CID136241
EC No.981-500-4
DTXSIDDTXSID90192943

Chemische & physikalische Eigenschaften

XLogP-0,3
Polarare Oberfläche (TPSA)43,1
H-Brücken-Donoren0
H-Brücken-Akzeptoren3
Frei drehbare Bindungen0
Schwere Atome9
Formalladung0
Komplexität105
Kovats Retention Index1675
Schmelzpunkt125-126 °C
Dichte1.48±0.1 g/cm3(Predicted)
LagerbedingungenStore at room temperature
pKa (Säurekonstante)0.08±0.30(Predicted)

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and CategoriesAcute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)