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23978-55-4

23978-55-4 Structure

23978-55-4 Structure
IdentificationMore
[Name]

1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE
[CAS]

23978-55-4
[Synonyms]

1,10-DIAZA-18-CROWN-6
1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE
1,7,10,16-TETRAOXA-4,13-DIAZACYCLOOCTADECANE
4,13-DIAZA-18-CROWN-6
4,13-DIAZA-18-CROWN 6-ETHER
7,16-DIAZA-18-CROWN-6
DIAZA-18-CROWN-6
KRYPTOFIX 22
KRYPTOFIX 22 POLYMER
KRYPTOFIX(R) 22
KRYPTOFIX(R) 22 POLYMER
1,10-diaza-4,7,13,16-tetraoxacyclooctadecane
1,4,10,13-Tetraoza-7,16-diazacyclooctadecane
4,7,13,16-Tetraoxa-1,10-diazacyclo octadecane
7,16-diaza-1,4,10,13-tetraoxcyclooctadecane
cryptand2.2
cryptand22
1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE, >=96%
KRYPTOFIX 22 POLYMER FOR SYNTHESIS
KRYPTOFIX 22 99+%
[EINECS(EC#)]

245-965-0
[Molecular Formula]

C12H26N2O4
[MDL Number]

MFCD00005112
[Molecular Weight]

262.35
[MOL File]

23978-55-4.mol
Chemical PropertiesBack Directory
[Appearance]

off-white shiny crystalline powder
[Melting point ]

111-114 °C(lit.)
[Boiling point ]

405.6°C (rough estimate)
[density ]

1.0807 (rough estimate)
[refractive index ]

1.4560 (estimate)
[storage temp. ]

0-6°C
[form ]

Shiny Crystalline Powder
[pka]

9.00±0.20(Predicted)
[color ]

Off-white
[Water Solubility ]

Soluble in water.
[BRN ]

609764
[InChI]

InChI=1S/C12H26N2O4/c1-5-15-9-10-17-7-3-14-4-8-18-12-11-16-6-2-13-1/h13-14H,1-12H2
[InChIKey]

NLMDJJTUQPXZFG-UHFFFAOYSA-N
[SMILES]

O1CCNCCOCCOCCNCCOCC1
[CAS DataBase Reference]

23978-55-4(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

2
[RTECS ]

HM1650000
[F ]

10
[HS Code ]

29349990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Toxicity]

LD50 orally in Rabbit: 3400 mg/kg
Hazard InformationBack Directory
[Chemical Properties]

off-white shiny crystalline powder
[Uses]

1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane is a crown ether, which can be used:
  • In the spectroscopic studies of its complex-forming reaction with iodine.
  • To prepare the ligand 7,16-bis(5-t-butyl-2-hydroxybenzyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane.
  • As a ligand in the study of zirconium facilitated hydrolysis of a dipeptide at neutral pH.

[Purification Methods]

Twice recrystallise it from *benzene/n-heptane, and dry it for 24hours under high vacuum [Weber & V.gtle Top Curr Chem (Springer Verlag, Berlin) 98 1 1981, D'Aprano & Sesta J Phys Chem 91 2415 1987].
Spectrum DetailBack Directory
[Spectrum Detail]

1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE(23978-55-4)1HNMR
1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE(23978-55-4)FT-IR
1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE(23978-55-4)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Diaza-18-crown-6, 98%(23978-55-4)
[Sigma Aldrich]

23978-55-4(sigmaaldrich)
[TCI AMERICA]

4,13-Diaza-18-crown 6-Ether,>98.0%(T)(23978-55-4)
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