CAS No.74568-07-3,Calix[4]arene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	74568-07-3
Name:	Calix[4]arene
Article Data:	133

Formula:	C₂₈H₂₄O₄
Molecular Weight:	424.496
Synonyms:	25,26,27,28-Tetrahydroxycalix[4]arene;Calix[4]arene-25,26,27,28-tetrol;Calix[4]arenetetrol;
Density:	1.302 g/cm³
Melting Point:	310-314 °C
Boiling Point:	598.5 °C at 760 mmHg
Flash Point:	264.9 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36-37/39
PSA:	80.92000
LogP:	5.18560

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Specification

The CAS registry number of Calix[4]arene is 74568-07-3. The systematic name is pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,26,27,28-tetrol. In addition, the molecular formula is C₂₈H₂₄O₄ and the molecular weight is 424.49. What's more, it is a kind of off-white to light beige crystalline powder and belongs to the classes of Calixarenes; Functional Materials; Macrocycles for Host-Guest Chemistry; Chelation/Complexation Compounds; Synthetic Reagents. Besides, it should be stored in sealed container, and put in a cool and dry place

Physical properties about this chemical are: (1)ACD/LogP: 5.37; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.37; (4)ACD/LogD (pH 7.4): 5.37; (5)ACD/BCF (pH 5.5): 7140.12; (6)ACD/BCF (pH 7.4): 7067; (7)ACD/KOC (pH 5.5): 19955.26; (8)ACD/KOC (pH 7.4): 19750.91; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 36.92 Å²; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 124.34 cm³; (15)Molar Volume: 325.8 cm³; (16)Polarizability: 49.29 ×10^-24cm³; (17)Surface Tension: 61.8 dyne/cm; (18)Density: 1.302 g/cm³; (19)Flash Point: 264.9 °C; (20)Enthalpy of Vaporization: 92.41 kJ/mol; (21)Boiling Point: 598.5 °C at 760 mmHg; (22)Vapour Pressure: 6.43E-15 mmHg at 25°C.

Preparation of Calix[4]arene: it can be prepared by 4,11,18,25-tetra-tert-butyl-[1.1.1.1]metacyclophane-7,14,21,28-tetraol. This reaction will need reagents phenol and AlCl₃, and solvent toluene. The reaction time is 1 hour at reaction temperature of 20 °C. The yield is about 75%.

Calix[4]arene can be prepared by 4,11,18,25-tetra-tert-butyl-[1.1.1.1]metacyclophane-7,14,21,28-tetraol

Uses of Calix[4]arene: it can react with N-chloro-succinimide to get 5,11,17,23-Tetrachloro-25,26,27,28-tetrahydroxycalix[4]arene. This reaction will need catalyst benzoyl peroxide and solvent CCl₄. The reaction time is 4 days at reaction temperature of 85 °C. The yield is about 38%.

Calix[4]arene can react with N-chloro-succinimide to get 5,11,17,23-Tetrachloro-25,26,27,28-tetrahydroxycalix[4]arene

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

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1c5cccc1Cc2cccc(c2O)Cc3c(O)c(ccc3)Cc4c(O)c(ccc4)C5
(2)InChI: InChI=1/C28H24O4/c29-25-17-5-1-6-18(25)14-20-8-3-10-22(27(20)31)16-24-12-4-11-23(28(24)32)15-21-9-2-7-19(13-17)26(21)30/h1-12,29-32H,13-16H2
(3)InChIKey: YPNHVQZZPXPQOS-UHFFFAOYAG