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8.03456

Sigma-Aldrich

1,4-Diazabicyclo[2.2.2]octane

greener alternative

for synthesis

Synonym(s):

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

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About This Item

Empirical Formula (Hill Notation):
C6H12N2
CAS Number:
Molecular Weight:
112.17
MDL number:
UNSPSC Code:
12352005
EC Index Number:
205-999-9
NACRES:
NA.22

vapor pressure

0.68 hPa ( 21 °C)

Quality Level

assay

≥98.0% (GC)

form

solid

autoignition temp.

350 °C

potency

700 mg/kg LD50, oral (Rat)

greener alternative product characteristics

Catalysis
Learn more about the Principles of Green Chemistry.

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Greener Alternative Product

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

storage temp.

2-30°C

InChI

1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2

InChI key

IMNIMPAHZVJRPE-UHFFFAOYSA-N

General description

We are committed to bringing you Greener Alternative Products, which adhere to one or more of The 12 Principles of Greener Chemistry. This product has been enhanced for catalytic efficiency. 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

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Danger

Hazard Classifications

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

Storage Class

4.1B - Flammable solid hazardous materials

wgk_germany

WGK 1

flash_point_f

144.0 °F - closed cup

flash_point_c

62.2 °C - closed cup


Certificates of Analysis (COA)

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