5,6-Benzo-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacos-5-ene solution , 50?wt.%intoluene , 31250-18-7

Synonym(s):
Kryptand 222B;Kryptofix 222B

CAS NO.：31250-18-7

Empirical Formula: C22H36N2O6

Molecular Weight: 424.53

MDL number: MFCD00013324

EINECS: 250-532-4

PRODUCT Properties

• Boiling point: 557.6±50.0 °C(Predicted)
• Density: 0.995 g/mL at 25 °C
• refractive index: n20/D 1.516
• Flash point: 40 °F
• pka: 7.11±0.20(Predicted)
• form: liquid
• BRN: 586455
• 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
• InChIKey: QXLUTPDNMOEWGG-UHFFFAOYSA-N
• SMILES: C1COCCN2CCOCCOCCN(CCO1)CCOc3ccccc3OCC2

Description and Uses

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.

Safety

• Symbol(GHS): GHS07,GHS08
• Signal word: Warning
• Hazard statements: H315-H319-H335-H336-H361d-H373-H412
• Precautionary statements: P201-P202-P273-P302+P352-P305+P351+P338-P308+P313
• target organs: Central nervous system, Respiratory system
• PPE: dust mask type N95 (US), Eyeshields, Gloves
• Hazard Codes: F,Xn,Xi
• Risk Statements: 11-20-36/37/38-67-65-48/20-38-63
• Safety Statements: 16-25-26-29-36/37/39-62-36/37
• RIDADR: UN 1993 3/PG 2
• WGK Germany: 3
• Storage Class: 3 - Flammable liquids
• 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