3-Amino-5-mercapto-1,2,4-triazole
Grundinformationen
- CAS
16691-43-3- Standard-SMILES
Nc1nc(=S)[nH][nH]1- InChIKey
WZUUZPAYWFIBDF-UHFFFAOYSA-N- Summenformel
- C2H4N4S
- Durchschnittliche Molmasse
- 116,15 g/mol
- Monoisotopische Masse
- 116,01566732
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 3-Amino-5-mercapto-1,2,4-triazole
- IUPAC
- 5-amino-1,2-dihydro-1,2,4-triazole-3-thione
- Englischer Name
- 3-Amino-5-mercapto-1,2,4-triazole
- Summenformel
- C2H4N4S
- Molmasse
- 116.14
Namen und Synonyme
3-Amino-5-mercapto-1,2,4-triazole16691-43-33-Amino-1,2,4-triazole-5-thiol3-Imino-5-thiourazole5-Amino-4H-1,2,4-Triazole-3-Thiol3H-1,2,4-Triazole-3-thione, 5-amino-1,2-dihydro-s-Triazole-3-thiol, 5-amino-5-amino-1,2-dihydro-3H-1,2,4-triazole-3-thione1,2,4-Triazolidine-3-thione, 5-imino-DTXSID7044849NSC-145149353F2D8L1Z
Weitere Namen anzeigen
4-triazolidine-3-thione,5-imino-23-ATMent613883-Amino-5-mercapto-1
NSC-34807DTXCID5024849RefChem:531934240-735-6Iminothiourazole3-amino-1H-1,2,4-triazole-5-thiol5-amino-1,2-dihydro-1,2,4-triazole-3-thione5-amino-1H-1,2,4-triazole-3-thiol
Datenbank-Bezeichner
- CAS
16691-43-3- PubChem CID
- 2723869
- DTXSID
DTXSID7044849- ChEMBL
CHEMBL3187666
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,8
- Polarare Oberfläche (TPSA)
- 94,5 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 128
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Triazoles
Physical Description
Dry Powder
Off-white solid with odor of "stench"; [MSDSonline]
Physikochemische Eigenschaften
- Schmelzpunkt
- 300 °C · >300 °C(lit.)
- Siedepunkt
- 201.2 · 201.2±23.0 °C(Predicted)
- Dichte
- 1.42 · 1.420 (estimate)
- Brechungsindex
- 1.5605 · 1.5605 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- 25 mg/mL, · water: soluble25mg/mL, clear, faintly yellow to yellow
- pka
- 12.57 · 12.57±0.20(Predicted)
- Aggregatzustand
- Crystalline Powder
- Farbe
- White to light beige
- Wasserlöslichkeit
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 53.9% (55 of 102) of all reports.
Warning
H315 (46.1%): 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 102 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 3H-1,2,4-Triazole-3-thione, 5-amino-1,2-dihydro-
3H-1,2,4-Triazole-3-thione, 5-amino-1,2-dihydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3H-1,2,4-Triazole-3-thione, 5-amino-1,2-dihydro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 3-amino-1,2,4-triazole-5-thiol (EC: 240-735-6)
3H-1,2,4-Triazole-3-thione, 5-amino-1,2-dihydro-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin, eye, and respiratory tract irritant; [MSDSonline] Eight cases of occupational asthma were identified in a chemical plant producing DE-498, a herbicide, and the likely cause was 3-amino-5-mercapto-1,2,4-triazole; [Reference #1]
Hazard Classes and CategoriesSkin Irrit. 2 (46.1%)
Toxikologische Informationen
Chemie und Industrie
Verwendung und Herstellung
UsesUsed to produce DE-498, a herbicide; [Reference #1]
U.S. Production2023: 23,986 lb
Industry UsesIntermediate
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
3H-1,2,4-Triazole-3-thione, 5-amino-1,2-dihydro-: ACTIVE
Anwendungen
Verwenden3-Amino-1,2,4-triazole-5-thiol was used to study the inhibition of corrosion of iron in 3.5% NaCl solutions by low concentrations of ATT and 1,1′-thiocarbonyldiimidazole. It was used to prepare surface-enhanced Raman scattering based pH nano- and microsensor using silver nanoparticles.
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