Kryptofix 222 Structure

Kryptofix 222

Chemical Properties

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.  Store at +2°C to +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)
FDA UNII 18V22YHN6G
NIST Chemistry Reference 4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane(23978-09-8)
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) Corrosion (GHS05)Exclamation Mark (GHS07)
Signal wordDanger
Hazard statements H302-H315-H318
Precautionary statements P264-P270-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes  Xi,Xn
Risk Statements  36/37/38-22
Safety Statements  26-36-36/37/39
WGK Germany  3
RTECS  MP4750000
HS Code  2934 99 90
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
NFPA 704:
0
2 0

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