8.03456

1,4-Diazabicyclo[2.2.2]octane

for synthesis

• Synonyme(s) : 1,4-Diazabicyclo[2.2.2]octane, Triethylenediamine, DABCO
• Formule empirique (notation de Hill) : C₆H₁₂N₂
• Numéro CAS: 280-57-9
• Poids moléculaire : 112.17
• UNSPSC Code: 12352005
• EC Index Number: 205-999-9
• NACRES: NA.22
• MDL number: MFCD00006689
• Assay: ≥98.0% (GC)
• Form: solid
• Grade: synthesis grade

Propriétés

• grade: synthesis grade
• Quality Segment: 200
• vapor pressure: 0.68 hPa ( 21 °C)
• assay: ≥98.0% (GC)
• form: solid
• autoignition temp.: 350 °C
• potency: 700 mg/kg LD₅₀, oral (Rat)
• sustainability: Sustainability features
• bp: 173.4 °C/1000 hPa
• mp: 155-158 °C
• transition temp: flash point 62.2 °C
• solubility: 400 g/L
• density: 1.14 g/cm³ at 25 °C
• bulk density: 800 kg/m³
• storage temp.: 2-30°C
• SMILES string: N21CCN(CC2)CC1
• InChI: 1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2
• InChI key: IMNIMPAHZVJRPE-UHFFFAOYSA-N

Description

General description

This product aligns with one or more of the 12 Principles of Green Chemistry Click here for more information.

Application

• Biocompatible Polymer Composites: Research demonstrates the development of a reactive compatibilization method using 1,4-diazabicyclo[2.2.2]octane as a catalyst for the preparation of polylactic acid/poly(butylene adipate-co-terephthalate)/thermoplastic starch ternary bio-composites. This approach significantly improves the mechanical and biodegradable properties of the composites, suitable for environmentally friendly applications in the packaging and automotive industries (Fang et al., 2024).
• Cobalt Single-Atom Catalysts: Research on the development of cobalt single-atom catalysts encapsulated in a metal-organic framework using 1,4-diazabicyclo[2.2.2]octane. This catalyst shows exceptional efficiency in the oxygen reduction reaction, important for energy conversion technologies such as fuel cells and metal-air batteries (Gao et al., 2024).
• Advanced Analytical Techniques: Study on the use of 1,4-diazabicyclo[2.2.2]octane in advanced derivatization techniques for the analysis of Novichok agents in biofluids using LC-MS. This research contributes to the field of forensic science and chemical warfare agent detection, providing robust methods for emergency responses and public safety (Yamaguchi et al., 2023).

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Water (K. F.): ≤ 1.0 %
Identity (IR): passes test

Informations sur la sécurité

• Pictogrammes: GHS02,GHS05,GHS07
• Mot-clé: Danger
• Codes de danger: H228,H302,H315,H318
• Mentions de précaution: P210 - P240 - P280 - P301 + P312 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Sol. 1 - Skin Irrit. 2
• Classe de stockage: 4.1B - Flammable solid hazardous materials
• WGK: WGK 1
• Point d'éclair (°F): 144.0 °F - closed cup
• Point d'éclair (°C): 62.2 °C - closed cup