1-H-1,2,4-triazol-3,5-diamin

3,5-DIAMINO-1,2,4-TRIAZOLE · GUANAZOLE · 4H-1,2,4-TRIAZOLE-3,5-DIAMINE · nsc1895 · MC 51762 · NSC 1895 · NCI-C04819 · TIMTEC-BB SBB004371

https://huagongshe.com/de/chemical/15078

Molekülstruktur von 1-H-1,2,4-triazol-3,5-diamin

Identifikatoren & physikalische Daten

CAS No.	1455-77-2
Summenformel	C2H5N5
Durchschnittliche Molmasse	99,1 g/mol
Monoisotopische Masse	99,05449516 g/mol
SMILES	Nc1n[nH]c(N)n1
InChIKey	PKWIYNIDEDLDCJ-UHFFFAOYSA-N
PubChem CID	15078
ChEMBL	CHEMBL56973
ChEBI	CHEBI:75425
EC No.	215-937-2
DTXSID	DTXSID0025367
Lokaler Name	1-H-1,2,4-triazol-3,5-diamin

Chemische & physikalische Eigenschaften

XLogP	-0,7
Polarare Oberfläche (TPSA)	93,6
H-Brücken-Donoren	3
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	0
Schwere Atome	7
Formalladung	0
Komplexität	63,1
Löslichkeit	Soluble (NTP, 1992)H2O: clear to hazySoluble in water.
Schmelzpunkt	399 to 403 °F (Decomposes) (NTP, 1992)202-205 °C (lit.)
Physical Description	Guanazole appears as colorless crystals. (NTP, 1992)
Siedepunkt	473.7±28.0 °C(Predicted)
Dichte	1.686±0.06 g/cm3(Predicted)
Brechungsindex	1.7330 (estimate)
Lagerbedingungen	Keep in dark place,Inert atmosphere,2-8°C
Aggregatzustand	powder
pKa (Säurekonstante)	12.10±0.40(Predicted)
Farbe	white
BRN	112467
Stabilität	Stability Air sensitive. Reacts with acids and oxidizing agents.
InChI	1S/C2H5N5/c3-1-5-2(4)7-6-1/h(H5,3,4,5,6,7)
InChIKey	PKWIYNIDEDLDCJ-UHFFFAOYSA-N
SMILES	Nc1n[nH]c(N)n1
CAS Datenbank	1455-77-2(CAS DataBase Reference)
NIST chemische Informationen	3,5-Diamino-1,2,4-triazole(1455-77-2)
EPA chemische Informationen	Guanazole (1455-77-2)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 31% (53 of 171) of reports.WarningH302+H312+H332 (16.4%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 171 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Status: Active Update: 12-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/242311H-1,2,4-Triazole-3,5-diamine: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Brandgefahren	Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Gesundheitsgefahren	SYMPTOMS: This chemical is stable under normal laboratory conditions. (NTP, 1992)
Reaktive Gruppe	Amines, Phosphines, and Pyridines
Reactivity Alerts	Explosive
Reactivity Profile	The triazoles, of which GUANAZOLE is a member, are a group of highly explosive materials that are sensitive to heat, friction, and impact. Sensitivity varies with the type of substitution to the triazole ring. The amine substituted derivatives, guanazole, tend not to be explosion sensitive. Metal chelated and halogen substitution of the triazol ring make for a particularly heat sensitive material. Azido and nitro derivatives have been employed as high explosives. No matter the derivative these materials should be treated as explosives. GUANAZOLE forms salts readily with acids. (NTP, 1992)
Air and Water Reactions	This compound is sensitive to air. Dust can be explosive when suspended in air at specific concentrations. Water soluble.