CAS No.23978-09-8,Kryptofix 222 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	23978-09-8
Name:	Kryptofix 222
Article Data:	27

Formula:	C₁₈H₃₆N₂O₆
Molecular Weight:	376.494
Synonyms:	2,2,2-Crypt;2,2,2-Cryptand;2,2,2-Cryptate;Crypt-2,2,2;Cryptand 222;Cryptand C 222;Cryptate 222;Cryptating agent 222;Cryptofix 222;K 222;Kryptand 222;Kryptofix 222;NSC 264495;
EINECS:	245-962-4
Density:	1.11 g/cm³
Melting Point:	68-71 °C(lit.)
Boiling Point:	513.1 °C at 760 mmHg
Flash Point:	144.2 °C
Solubility:	soluble in water
Appearance:	Colourless crystals
Hazard Symbols:	Xi,Xn
Risk Codes:	36/37/38-22
Safety:	26-36-36/37/39
PSA:	61.86000
LogP:	-0.40700

Raw Materials

929-59-9

Downstream Products

607-97-6

Total:53 Page 1 of 2 1 2 Next>>

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Specification

The Ligand 222, with the CAS registry number 23978-09-8, is also known as 13,16,21,24-Hexaoxa-1,10-diazabicyclo-(8,8,8)-hexacosane. It belongs to the product categories of FDG Chemicals; Azacrown Ethers; Crown Ethers; Functional Materials; Macrocycles for Host-Guest Chemistry; Crown EthersStable Isotopes; Chelation/Complexation Compounds; PET; Synthetic Reagents. Its EINECS registry number is 245-962-4. This chemical's molecular formula is C₁₈H₃₆N₂O₆ and molecular weight is 376.49. Its IUPAC name is called 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane. The product should be stored at temperature of 2-8 °C. This chemical is colourless crystals which can be used for spinning polyester filament, pulling film, manufacturing bottle, etc.

Physical properties of Ligand 222: (1)ACD/LogP: -1.34; (2)ACD/LogD (pH 5.5): -4.1; (3)ACD/LogD (pH 7.4): -1.58; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 2.57; (8)#H bond acceptors: 8; (9)#H bond donors: 0; (10)Index of Refraction: 1.502; (11)Molar Refractivity: 99.52 cm³; (12)Molar Volume: 336.8 cm³; (13)Surface Tension: 43.8 dyne/cm; (14)Density: 1.11 g/cm³; (15)Flash Point: 144.2 °C; (16)Enthalpy of Vaporization: 78.44 kJ/mol; (17)Boiling Point: 513.1 °C at 760 mmHg; (18)Vapour Pressure: 1.22E-10 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,2-bis-[2-(toluene-4-sulfonyloxy)-ethoxy]-ethane and 2,2'-ethane-1,2-diyldioxy-bis-ethylamine. This reaction will need reagent Na₂CO₃ and solvent acetonitrile. The reaction time is 7 days. The yield is about 36%.

Uses of Ligand 222: it can be used to produce potassium 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane picrate at temperature of 25 °C. The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1COCCOCCN2CCOCCOCCN1CCOCCOCC2
(2)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
(3)InChIKey: AUFVJZSDSXXFOI-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	153mg/kg (153mg/kg)	Toxicology and Applied Pharmacology. Vol. 41, Pg. 113, 1977.
mouse	LD50	intravenous	32mg/kg (32mg/kg)	Toxicology and Applied Pharmacology. Vol. 41, Pg. 113, 1977.
rat	LD50	intraperitoneal	110mg/kg (110mg/kg)	Toxicology and Applied Pharmacology. Vol. 41, Pg. 113, 1977.
rat	LD50	intravenous	35mg/kg (35mg/kg)	Toxicology and Applied Pharmacology. Vol. 41, Pg. 113, 1977.