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

Properties

• form: liquid
• Quality Level: 100
• concentration: 50 wt. % in toluene
• refractive index: n20/D 1.516
• density: 0.995 g/mL at 25 °C
• SMILES string: C1COCCN2CCOCCOCCN(CCO1)CCOc3ccccc3OCC2
• 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
• InChI key: QXLUTPDNMOEWGG-UHFFFAOYSA-N

Description

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 Yb^II complexes.

Legal Information

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

Safety Information

• pictograms: GHS02,GHS07,GHS08
• signalword: Danger
• hcodes: H225 - H304 - H315 - H319 - H335 - H336 - H361d - H373 - H412
• pcodes: P210 - P273 - P301 + P310 - P303 + P361 + P353 - P305 + P351 + P338 - P331
• Hazard Classifications: Aquatic Chronic 3 - Asp. Tox. 1 - Eye Irrit. 2 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2
• target_organs: Central nervous system
• Storage Class: 3 - Flammable liquids
• wgk_germany: 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