1,2,4-Triazolo[4,3-a][1,3,5]triazin-3,5,7-triamin

3,5,7-triamino-S-triazolo(4,3-A)-S-triazine · 3,5,7-TRIAMINO-1,2,4-TRIAZOLO[4,3-A]-1,3,5-TRIAZINE · 1,2,4-triazolo[4,3-a][1,3,5]triazine-3,5,7-triamine · 3,5,7-TRIAMINO-1,2,4-TRIAZOLO[4,3-A]-1,3,5-TRIAZINE 98% · 1,2-Dihydro-[1,2,4]triazolo[4,3-a][1,3,5]triazine-3,5,7(6h)-triimine

https://huagongshe.com/de/chemical/81563

Molekülstruktur von 1,2,4-Triazolo[4,3-a][1,3,5]triazin-3,5,7-triamin

Identifikatoren & physikalische Daten

CAS No.	7144-22-1
Summenformel	C4H6N8
Durchschnittliche Molmasse	166,15 g/mol
Monoisotopische Masse	166,07154219 g/mol
SMILES	Nc1nc(N)n2c(N)nnc2n1
InChIKey	KMZCSSCUBKHIJS-UHFFFAOYSA-N
PubChem CID	81563
EC No.	230-448-4
DTXSID	DTXSID80221630
Lokaler Name	1,2,4-Triazolo[4,3-a][1,3,5]triazin-3,5,7-triamin

Chemische & physikalische Eigenschaften

XLogP	-0,2
Polarare Oberfläche (TPSA)	134
H-Brücken-Donoren	3
H-Brücken-Akzeptoren	7
Frei drehbare Bindungen	0
Schwere Atome	12
Formalladung	0
Komplexität	172
Schmelzpunkt	>360 °C(lit.)
Dichte	2.77±0.1 g/cm3(Predicted)
pKa (Säurekonstante)	2.41±0.30(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (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)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-37/39