ChemicalBook--->CAS DataBase List--->23978-09-8

23978-09-8

23978-09-8 Structure

23978-09-8 Structure
IdentificationMore
[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 PropertiesBack 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 DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H302-H315-H318
[Precautionary statements ]

P264-P270-P280-P301+P312-P302+P352-P305+P351+P338
[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
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
[Toxicity]

LD50 orally in Rabbit: > 300 - 2000 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Tetrahydrofuran-->Dichloromethane-->Sodium-->Sodium carbonate-->Potassium hydroxide-->Triethylamine-->Ammonium hydroxide-->Ammonia-->Lithium Aluminum Hydride-->Acetonitrile-->1,4-Dioxane-->Sodium azide-->Tosyl chloride-->Methanesulfonyl chloride-->Triethylene glycol-->Aluminum oxide
Hazard InformationBack 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.
Spectrum DetailBack Directory
[Spectrum Detail]

Kryptofix 222(23978-09-8)1HNMR
Kryptofix 222(23978-09-8)IR
Kryptofix 222(23978-09-8)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Kryptofix? 222, 98%(23978-09-8)
[Sigma Aldrich]

23978-09-8(sigmaaldrich)
[TCI AMERICA]

4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane,>98.0%(T)(23978-09-8)
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