1,4-Diazabicyclo(2.2.2)octane (280-57-9),1,4-Diazabicyclo(2.2.2)octane (280-57-9) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
1,4-Diazabicyclo(2.2.2)octane
Superlist Name:
Triethylenediamine
CAS No.:
280-57-9
Molecular Structure:
Formula:
C₆H₁₂N₂
Molecular Weight:
112.20
Deleted CAS:
903524-95-8|88935-43-7|309955-09-7|23790-33-2|150605-01-9
Synonyms:
Thancat TD 33A;Toral SM 2;Toyocat L 33;Toyocat TEDA L 33;Triethylenediamine;1,4-Ethylenepiperazine;33LV;A 33;AE 33;Activator 105E;Bicyclo[2.2.2]-1,4-diazaoctane;D 33LV;DABCO Crystal;Dabco;Dabco 33LV;Dabco 3LV;Dabco Crystalline;Dabco L 1202;Dabco S 25;Jeffcat TD 100;Kaolizer 31;L 33;L 33E;LC 96003;LV 33;Minico L1020;N,N'-endo-Ethylenepiperazine;NSC 56362;Niax A 33;PC CAT TD 33;PC-TD;Polycat 33LV;TD 100;TED;TEDA;Teda L 33;Tegamine 33;Tego Amine;Tegoamin33;Texacat TD 100;Texacat TD 33;Thancat TD 33;
EINECS:
205-999-9
Density:
1.08 g/cm³
Melting Point:
156-159 °C(lit.)
Boiling Point:
174 °C at 760 mmHg
Flash Point:
62.2 °C
Solubility:
46 g/100 mL (26 °C) in water
Appearance:
white crystalline powder
Hazard Symbols:
Xn, F
Risk Codes:
22-36/37/38-52/53-41-36/38-11
Safety Description:
26-60-37/39-3-16-36/37 Details
Transport Information:
UN 1325 4.1/PG 2

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Chemistry

Molecular structure of 1,4-Diazabicyclo(2.2.2)octane (CAS NO.280-57-9) is:

Product Name: 1,4-Diazabicyclo(2.2.2)octane
CAS Registry Number: 280-57-9
IUPAC Name: 1,4-diazabicyclo[2.2.2]octane
Molecular Weight: 112.17288 [g/mol]
Molecular Formula: C₆H₁₂N₂
XLogP3-AA: -0.2
H-Bond Donor: 0
H-Bond Acceptor: 2
EINECS: 205-999-9
Melting Point: 156-159 °C(lit.)
Refractive index: n20/D 1.4634(lit.)
Storage temp.: 2-8°C
Water Solubility: 46 g/100 mL (26 ºC)
Sensitive: Hygroscopic
Surface Tension: 42.3 dyne/cm
Density: 1.08 g/cm³
Flash Point: 62.2 °C
Enthalpy of Vaporization: 41.03 kJ/mol
Boiling Point: 174 °C at 760 mmHg
Vapour Pressure: 1.23 mmHg at 25°C
Stability: Stable, but very hygroscopic. Incompatible with strong oxidizing agents, strong acids. Highly flammable.
Product Categories: pharmacetical;Polyamines;API intermediates;Biochemistry;Reagents for Oligosaccharide Synthesis

Uses

1,4-Diazabicyclo(2.2.2)octane (CAS NO.280-57-9) is used as a catalyst, particularly in making polyurethanes, and complexing ligand.Also it is a useful catalyst in the Baylis-Hillman reaction.And it can be used to adjust pH of the oxygen-sensitive resin to regulate the reaction rate in Flexplay time-limited DVDs. It has also been used as a catalyst for a metal-free Sonogashira coupling, with or without microwave enhancement.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	oral	2250mg/kg (2250mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(5), Pg. 67, 1980.
rabbit	LD50	oral	1100mg/kg (1100mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(5), Pg. 67, 1980.
rat	LD50	oral	1700mg/kg (1700mg/kg)		Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 20, Pg. 393, 1974.

Safety Profile

Moderately toxic by ingestion. A skin and eye irritant, allergen, and skin sensitizer. A powerful base. Forms an explosive complex with hydrogen peroxide. Mixtures with carbon auto-ignite at 230°C. Very exothermic reaction with cellulose nitrate. When heated to decomposition it emits toxic fumes of NO_x. See also AMINES.
Hazard Codes: Harmful Xn, Flammable F
Risk Statements: 22-36/37/38-52/53-41-36/38-11
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R41:Risk of serious damage to the eyes.
R36/38:Irritating to eyes and skin.
R11:Highly flammable.
Safety Statements: 26-60-37/39-3-16-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S60:This material and its container must be disposed of as hazardous waste.
S37/39:Wear suitable gloves and eye/face protection.
S3:Keep in a cool place.
S16:Keep away from sources of ignition.
S36/37:Wear suitable protective clothing and gloves.
RIDADR: UN 1325 4.1/PG 2
WGK Germany: 1
RTECS: HM0354200
F: 3
HazardClass: 8
PackingGroup: III
HS Code: 29335920

Specification

1,4-Diazabicyclo(2.2.2)octane , its cas register number is 280-57-9. It also can be called 1,4-Diazabicyclo[2.2.2]octane ; Dabco ; Quinuclidine ; Triethylenediamine ; N,N'-endo-Ethylenepiperazine .It is a white crystalline powder.It smells like peanuts.