2.2.2-Cryptand

2.2.2-Cryptand

Names
Systematic IUPAC name 4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane[1]
Other names Cryptating agent 222
Identifiers
CAS Number	23978-09-8
3D model (Jmol)	Interactive image
Abbreviations	Crypt-222
Beilstein Reference	620282
ChemSpider	65637
ECHA InfoCard	100.041.770
EC Number	245-962-4
MeSH	Cryptating+agent+222
PubChem	72801
RTECS number	MP4750000
InChI InChI=1S/C18H36N2O6/c1-7-21-13-14-24-10-4-20-5-11-25-17-15-22-8-2-19(1)3-9-23-16-18-26-12-6-20/h1-18H2 Key: AUFVJZSDSXXFOI-UHFFFAOYSA-N InChI=1/C18H36N2O6/c1-7-21-13-14-24-10-4-20-5-11-25-17-15-22-8-2-19(1)3-9-23-16-18-26-12-6-20/h1-18H2 Key: AUFVJZSDSXXFOI-UHFFFAOYAX
SMILES C1COCCN2CCOCCOCCN(CCO1)CCOCCOCC2
Properties
Chemical formula	C 18N 2H 36O 6
Molar mass	376.4882 g mol^−1
Melting point	68 to 71 °C (154 to 160 °F; 341 to 344 K)
Hazards
GHS pictograms
GHS signal word	WARNING
GHS hazard statements	H315, H319, H335
GHS precautionary statements	P261, P305+351+338
EU classification (DSD)	Xi
R-phrases	R36/37/38
S-phrases	S26, S36
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
verify (what is  ?)
Infobox references

Structure of a [2.2.2]cryptand encapsulating a potassium cation (purple). At crystalline state, obtained with an X-ray diffraction.^[2]

2.2.2-Cryptand is one of the most important members of the cryptand family of chelating agents. In Nomenclature of Inorganic Chemistry (2005), IUPAC recommends the abbreviation "crypt-222".

References

1. "cryptating agent 222 - PubChem Public Chemical Database". The PubChem Project. USA: National Center for Biotechnology Information. Descriptors Computed from Structure.
2. Alberto, R.; Ortner, K.; Wheatley, N.; Schibli, R.; Schubiger, A. P. (2001). "Synthesis and properties of boranocarbonate: a convenient in situ CO source for the aqueous preparation of [^99mTc(OH₂)₃(CO)₃]⁺". J. Am. Chem. Soc. 121 (13): 3135–3136. doi:10.1021/ja003932b.