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Merck
CN

308579

5,6-Benzo-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacos-5-ene solution

50 wt. % in toluene

Synonym(s):

Kryptofix® 222B, Kryptand 222B

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About This Item

Empirical Formula (Hill Notation):
C22H36N2O6
CAS Number:
31250-18-7
Molecular Weight:
424.53
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
24858678
EC Number:
250-532-4
Beilstein/REAXYS Number:
586455
MDL number:
MFCD00013324
Form:
liquid

Key Documents

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InChI key

QXLUTPDNMOEWGG-UHFFFAOYSA-N

InChI

1S/C22H36N2O6/c1-2-4-22-21(3-1)29-15-9-23-5-11-25-17-19-27-13-7-24(10-16-30-22)8-14-28-20-18-26-12-6-23/h1-4H,5-20H2

SMILES string

C1COCCN2CCOCCOCCN(CCO1)CCOc3ccccc3OCC2

form

liquid

concentration

50 wt. % in toluene

refractive index

n20/D 1.516

density

0.995 g/mL at 25 °C

functional group

ether

Quality Level

100

Application

5,6-Benzo-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacos-5-ene can be used as a model ligand:
  • In the metal-ligand complex formation studies to predict ligand coordination with metal ions (Eu & Gd) using magnetic resonance imaging (MRI) technique.
  • In the study of coordination environment as well as redox and electronic properties of its YbII complexes.

Legal Information

Kryptofix is a registered trademark of Merck KGaA, Darmstadt, Germany

signalword

Danger

Hazard Classifications

Aquatic Chronic 3 - Asp. Tox. 1 - Eye Irrit. 2 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2 - STOT SE 3

target_organs

Central nervous system, Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

46.4 °F - closed cup

flash_point_c

8 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品
易制毒化学品（3类）
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Certificates of Analysis (COA)

Lot/Batch Number
16631KF
07715MZ
06726BU
12908PU

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Spectroscopic and Electrochemical Trends in Divalent Lanthanides through Modulation of Coordination Environment
Jenks TC, et al.
Inorganic Chemistry, 59(4), 2613-2620 (2020)
Screening of ligands for redox-active europium using magnetic resonance imaging
Corbin BA, et al.
Bioorganic & Medicinal Chemistry, 26(19), 5274-5279 (2018)

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