| Identification | More | [Name]
Kryptofix 222 | [CAS]
23978-09-8 | [Synonyms]
2,2,2-CRYPT
2,2,2-CRYPTAND
2,2,2-CRYPTATE
4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOSANE
CRYPT-2,2,2
CRYPTAND 222
CRYPTAND C 222
CRYPTATE 222
CRYPTATING AGENT 222
CRYPTOFIX 222
KRYPTAND 222
KRYPTOFIX 222
KRYPTOFIX(R) 222
13,16,21,24-Hexaoxa-1,10-diazabicyclo-(8,8,8)-hexacosane
Kriptofix 222
Kryptofix Merck 222
Ligand 222
ligand222
4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYC&
4,7,13,16,21,24-HEXAOXA-1,10-*DIAZABICYCLO-(8.8.8)HE | [EINECS(EC#)]
245-962-4 | [Molecular Formula]
C18H36N2O6 | [MDL Number]
MFCD00005111 | [Molecular Weight]
376.49 | [MOL File]
23978-09-8.mol |
| Chemical Properties | Back Directory | [Appearance]
Colourless crystals | [Melting point ]
68-71 °C(lit.) | [Boiling point ]
505.03°C (rough estimate) | [density ]
1.1888 (rough estimate) | [refractive index ]
1.5700 (estimate) | [storage temp. ]
2-8°C | [solubility ]
Chloroform (Slightly), Methanol (Slightly, Heated) | [form ]
Solid | [pka]
7.21±0.20(Predicted) | [color ]
White to Off-White | [Water Solubility ]
soluble | [BRN ]
620282 | [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 | [InChIKey]
AUFVJZSDSXXFOI-UHFFFAOYSA-N | [SMILES]
N12CCOCCOCCN(CCOCCOCC1)CCOCCOCC2 | [CAS DataBase Reference]
23978-09-8(CAS DataBase Reference) | [NIST Chemistry Reference]
4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane(23978-09-8) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
3
| [RTECS ]
MP4750000
| [HS Code ]
29147000 | [Toxicity]
LD50 orally in Rabbit: > 300 - 2000 mg/kg |
| Hazard Information | Back Directory | [Chemical Properties]
Colourless crystals | [Uses]
2,2,2-Crypt is used in the synthesis of hybrid metal-organic salts. It is also an impurity in the preparation of Fludeoxyglucose (D232570), a D-Glucose (G595000) derivative used in the synthesis of sugar nucleotides and oligosaccharides. |
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