1,4-二氮杂双环[2.2.2]辛烷

Description

1,4-Diazabicyclo[2.2.2]octane · CAS 280-57-9 · C6H12N2. UNII X8M57R0JS5. Boiling Point: 174 °C; Boiling Point: 174 °C @760 [mm Hg]; Melting Point: 158 °C.

Identification

CAS Registry Number	280-57-9
PubChem CID	9237
Molecular formula	C6H12N2
IUPAC name	1,4-diazabicyclo[2.2.2]octane
UNII (FDA)	X8M57R0JS5

Computed Descriptors

Molecular Weight	112.17
XLogP3	-0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	112.100048391
Monoisotopic Mass	112.100048391
Topological Polar Surface Area	6.5
Heavy Atom Count	8
Formal Charge	0

Physical & Chemical Properties

Boiling Point	174 °C
Boiling Point	174 °C @760 [mm Hg]
Melting Point	158 °C
Flash Point	62 °C
Solubility	45 g/100 g water at 25 °C
Vapor Pressure	0.74 [mmHg]
Dissociation Constants	pKa1 = 3.0; pKa2 = 8.7

Physical description & handling notes

• Liquid; Large Crystals
• White crystals with an ammonia-like odour; Sublimes (goes directly from solid to vapour) readily at room temperature; Extremely hygroscopic (absorbs moisture from the air); [CHEMINFO]
• Colorless hygroscopic crystals
• 13 g/100 g acetone at 25 °C; 51 g/100 g benzene at 25 °C; 77 g/100 g ethanol at 25 °C; 26.1 g/100 g methyl ethyl ketone at 25 °C
• Soluble in chloroform
• 1.14 at 28 °C (Water = 1)[NITE; Chemical Risk Information Platform (CHRIP). Biodegradation and Bioconcentration. Ver 2006.01.30 Updated. National Institute of Technology and Evaluation. Tokyo, Japan. Thiodiethylene glycolBicyclo

Regulatory Status

GHS notification summary	0.7% (6 / 801)

GHS Hazard Classification

GHS notification summary	0.7% (6 / 801)
Reported hazard statements	H228 (82.6%), H302 (96.5%), H315 (97.3%), H318 (50.7%), H319 (44.2%), H335 (16.4%), H412 (14.5%), H361

Documented Uses

• Used as curing agent for urethane foams; used as a singlet oxygen trap and a radioiodine trap; [HSDB]
• Plastic Composites Manufacturing [Category: Industry]
• Catalyst in making urethane foams
• The only important industrial use of triethylenediamine is as a hardener for polyurethane foams.
• Anti-fade reagent that scavenges free-radicals produced by excitation of fluorochromes. Added to the mounting medium in fluorescence microscopy to retard photobleaching of fluorescein and other fluorescent dyes.[Sigma-Aldrich; D2522 Sigma 1,4-Diazabicyclo
• Singlet oxygen trap used as diagnostic for singlet oxygen; trap for radioiodine

Synonyms

1,4-Diazabicyclo[2.2.2]octane; Triethylenediamine; 280-57-9; Dabco; 1,4-DIAZABICYCLO(2.2.2)OCTANE; Dabco 33LV; Dabco crystal; 1,4-Ethylenepiperazine; TEDA; Texacat TD 100; Dabco EG; N,N'-endo-Ethylenepiperazine; 1,4-Diazabicyclo-octane; D 33LV; Thancat TD 33; DTXSID0022016

Frequently Asked Questions

What are the CAS number and molecular formula of 1,4-Diazabicyclo[2.2.2]octane?

CAS 280-57-9; molecular formula C6H12N2; molecular weight — g/mol.

What other names is 1,4-Diazabicyclo[2.2.2]octane known by?

1,4-Diazabicyclo[2.2.2]octane, Triethylenediamine, 280-57-9, Dabco, 1,4-DIAZABICYCLO(2.2.2)OCTANE, Dabco 33LV.

Is 1,4-Diazabicyclo[2.2.2]octane classified as hazardous?

0.7% of GHS notifications report no hazard classification (6 of 801).

What are the key physical properties of 1,4-Diazabicyclo[2.2.2]octane?

Boiling Point: 174 °C; Boiling Point: 174 °C @760 [mm Hg]; Melting Point: 158 °C; Flash Point: 62 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.