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Merck

8.03456

1,4-Diazabicyclo[2.2.2]octane

greener alternative

for synthesis

Sinónimos:

1,4-Diazabicyclo[2.2.2]octane, Triethylenediamine, DABCO

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Fórmula empírica (notación de Hill):
C6H12N2
Número CAS:
280-57-9
Peso molecular:
112.17
UNSPSC Code:
12352005
EC Index Number:
205-999-9
NACRES:
NA.22
MDL number:
MFCD00006689

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Nombre del producto

1,4-Diazabicyclo[2.2.2]octane, for synthesis

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

grade

synthesis grade

vapor pressure

0.68 hPa ( 21 °C)

assay

≥98.0% (GC)

form

solid

autoignition temp.

350 °C

potency

700 mg/kg LD50, oral (Rat)

greener alternative product characteristics

Catalysis
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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

greener alternative category

Aligned,

storage temp.

2-30°C

Quality Level

200

Categorías relacionadas

Analysis Note

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

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).

General description

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Danger

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Sol. 1 - Skin Irrit. 2

Clase de almacenamiento

4.1B - Flammable solid hazardous materials

wgk

WGK 1

flash_point_f

144.0 °F - closed cup

flash_point_c

62.2 °C - closed cup

Certificados de análisis (COA)

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