8.08388

1,2,4-Triazole

for synthesis

• Synonym(s): 1,2,4-Triazole
• Empirical Formula (Hill Notation): C₂H₃N₃
• CAS Number: 288-88-0
• Molecular Weight: 69.07
• UNSPSC Code: 12352005
• EC Index Number: 206-022-9
• NACRES: NA.22
• MDL number: MFCD00005228
• Assay: ≥98.0%
• Form: solid

Properties

• Quality Segment: 200
• assay: ≥98.0%
• form: solid
• potency: 1650 mg/kg LD₅₀, oral (Rat), 3129-4200 mg/kg LD₅₀, skin (Rabbit)
• pH: 8 (20 °C, 10 g/L in H₂O)
• bp: 259-261 °C/1013 hPa
• mp: 119-122 °C
• density: 1.15 g/cm³ at 130 °C
• bulk density: 550 kg/m³
• storage temp.: 2-30°C
• SMILES string: [nH]1cnnc1
• InChI: 1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)
• InChI key: NSPMIYGKQJPBQR-UHFFFAOYSA-N

Description

Application

• Chemistry of 1, 2, 4-triazole: a review article: This comprehensive review explores the broad applications of 1,2,4-triazole in pharmaceuticals, demonstrating its role in enhancing antibacterial, antifungal, and antioxidant properties (Shneine et al., 2016).
• Combination of 1, 2, 3-triazole and 1, 2, 4-triazole frameworks for new high-energy and low-sensitivity compounds: Discusses the synthesis of energetic materials combining 1,2,4-triazole with other high-energy frameworks, aiming to enhance performance and safety (Yao et al., 2021).
• 1, 3, 4-Oxadiazole, 1, 3, 4-thiadiazole and 1, 2, 4-triazole derivatives as potential antibacterial agents: Examines derivatives of 1,2,4-triazole for potential use in antibacterial treatments, reflecting on their pharmacological importance (Othman et al., 2019).
• Recent developments on 1, 2, 4-triazole nucleus in anticancer compounds: a review: Reviews the incorporation of the 1,2,4-triazole nucleus in various anticancer compounds, showcasing the therapeutic potential of this moiety (Kaur et al., 2016).

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Melting range (lower value): ≥ 117 °C
Melting range (upper value): ≤ 121 °C
Identity (IR): passes test

Safety Information

• pictograms: GHS08,GHS07
• signalword: Danger
• hcodes: H302,H319,H360FD
• pcodes: P202 - P264 - P280 - P301 + P312 - P305 + P351 + P338 - P308 + P313
• Hazard Classifications: Acute Tox. 4 Oral - Eye Irrit. 2 - Repr. 1B
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk: WGK 2
• flash_point_f: 338.0 °F
• flash_point_c: 170 °C