1,4-Diazabicyclo[2.2.2]octane

Name: 1,4-Diazabicyclo[2.2.2]octane
Brand: Jinan Shenghe Chemical Co., Ltd.
SKU: 31725
Availability: InStock

CAS 280-57-9C6H12N2MW 112.17

1,4-Diazabicyclo[2.2.2]octane (CAS 280-57-9) — formula C6H12N2, molecular weight 112.17; category organic chemicals.

Specifications

CAS Number280-57-9

Molecular FormulaC6H12N2

Molecular Weight112.17

Melting Point158 °C

Boiling Point174 °C

LogP-0.2

CategoryOrganic Chemicals

Purchase Profile

What this product is

1,4-Diazabicyclo[2.2.2]octane is a carbon-based organic compound with CAS registry number 280-57-9 and molecular formula C6H12N2 (molecular weight 112.17), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 280-57-9

Its molecular formula C6H12N2 comprises 6 C, 12 H, 2 N atoms.

Also known as: 1,4-Diazabicyclo[2.2.2]octane · TEDA

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 1,4-Diazabicyclo[2.2.2]octane?

The CAS registry number of 1,4-Diazabicyclo[2.2.2]octane is 280-57-9.

What is the molecular formula and molecular weight of 1,4-Diazabicyclo[2.2.2]octane?

Molecular formula C6H12N2, molecular weight 112.17.

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

It is also registered under: 1,4-Diazabicyclo[2.2.2]octane, TEDA.

Which category does 1,4-Diazabicyclo[2.2.2]octane belong to?

Category: Organic Chemicals.

PubChem Public Data

Public-database records for 1,4-Diazabicyclo[2.2.2]octane (CAS 280-57-9), reproduced here for independent cross-checking.

Safety classification and hazard statements

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

This chemical does not meet GHS hazard criteria for 0.7% (6 of 801) of reports.

H228 (82.6%): Flammable solid [Danger Flammable solids]

Regulatory listings

GHS notification summary	0.7% (6 / 801)

Physical description and 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

Reported physical properties

沸点	174 °C
沸点	174 °C @760 [mm Hg]
熔点	158 °C
闪点	62 °C
溶解度	45 g/100 g water at 25 °C
蒸气压	0.74 [mmHg]
Dissociation Constants	pKa1 = 3.0; pKa2 = 8.7

How this substance is indexed

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

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

Names this substance appears under

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

Computed molecular descriptors

分子量	112.17
XLogP3	-0.2
氢键供体数	0
氢键受体数	2
可旋转键数	0
精确质量	112.100048391
单同位素质量	112.100048391
拓扑极性表面积	6.5
重原子数	8
形式电荷	0

Database abstract

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

Source: PubChem / Wikidata; the batch COA governs where values differ.

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