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D27802

Sigma-Aldrich

1,4-Diazabicyclo[2.2.2]octane

greener alternative

ReagentPlus®, ≥99%

Synonym(s):
Triethylenediamine, TED
Empirical Formula (Hill Notation):
C6H12N2
CAS Number:
Molecular Weight:
112.17
Beilstein:
103618
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21

Quality Level

vapor pressure

2.9 mmHg ( 50 °C)

product line

ReagentPlus®

assay

≥99%

form

crystals

greener alternative product characteristics

Catalysis
Learn more about the Principles of Green Chemistry.

refractive index

n20/D 1.4634 (lit.)

mp

156-159 °C (lit.)

density

1.02 g/mL at 25 °C (lit.)

greener alternative category

SMILES string

N12CCN(CC2)CC1

InChI

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

InChI key

IMNIMPAHZVJRPE-UHFFFAOYSA-N

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General description

1,4-Diazabicyclo[2.2.2]octane (DABCO, triethylenediamine), a caged tertiary diamine, is a commonly used strong hindered amine base in chemical synthesis. It can also be employed as a complexing ligand and as a catalyst. Its gas-phase electronic absorption spectrum, vibrational spectra, multiphoton ionization (MPI), and two-photon fluorescence excitation (TPFE) spectra have been recorded and analyzed. Proton magnetic resonance (PMR) studies of DABCO in solid state were conducted in order to determine its line width, second moment, and spin-lattice relaxation time.
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Application

1,4-Diazabicyclo[2.2.2]octane (DABCO) may be used in the synthesis of isoxazole derivatives via dehydration of primary nitro compounds in the presence of dipolarophiles. DABCO may be used in the preparation of the following:
  • DABCO bis(perhydrate)
  • DABCO monohydrate
  • DABCO hexahydrate

Packaging

25, 100, 500 g in poly bottle
2 kg in poly bottle

Legal Information

ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Signal Word

Danger

Hazard Statements

Hazard Classifications

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

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

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Certificate of Origin

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More Documents

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