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5,10,15,20-Tetra(4-pyridyl)porphyrin
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Name

5,10,15,20-Tetra(4-pyridyl)porphyrin

 EINECS 240-858-5
CAS No. 16834-13-2 Density 1.352 g/cm3
PSA 107.86000 LogP 4.44620
Solubility N/A Melting Point N/A
Formula C40H26N8 Boiling Point N/A
Molecular Weight 618.7 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 16834-13-2 (5,10,15,20-TETRA(4-PYRIDYL)-21H,23H-PORPHINE) Hazard Symbols IrritantXi
Synonyms

Porphine,5,10,15,20-tetra-4-pyridyl- (6CI,8CI);Porphine, a,b,g,d-tetra-4-pyridyl- (7CI);5,10,15,20-Tetra(4-pyridyl)-21H,23H-porphine;5,10,15,20-Tetra(4-pyridyl)porphyrin;5,10,15,20-Tetrakis(4-pyridinyl)-21H,23H-porphine;5,10,15,20-Tetrakis(4-pyridyl)-21H,23H-porphyrin;5,10,15,20-Tetrakis(4-pyridyl)porphyrin;5,10,15,20-Tetrakis(4'-N-pyridyl)porphyrin;Mesotetra(4-pyridyl)porphyrin;Tetra(4-pyridyl)porphine;Tetra(4-pyridyl)porphyrin;Tetrakis(4-pyridyl)porphine;Tetrakis(4-pyridyl)porphyrin;meso-Tetra(4-pyridyl)porphyrin;meso-Tetrakis(4-pyridyl)porphine;a,b,g,d-Tetra-4-pyridylporphine;a,b,g,d-Tetrakis(4-pyridyl)porphine;

Article Data 68

5,10,15,20-Tetra(4-pyridyl)porphyrin Specification

The 21H,23H-Porphine,5,10,15,20-tetra-4-pyridinyl-, with CAS registry number 16834-13-2, belongs to the following product categories: (1)Organics; (2)Porphyrin Building Blocks; (3)Porphyrins; (4)Natural Porphyrins and Derivitives; (5)Synthetic Porphyrins; (6)Standards and Kits; (7)Biochemistry; (8)Analytical Chemistry; (9)Chelating Reagents; (10)Porphines. It has the systematic name of 5,10,15,20-tetra(pyridin-4-yl)porphyrin. And the chemical formula of this chemical is C40H26N8. What's more, its EINECS is 240-858-5.

Physical properties of 21H,23H-Porphine,5,10,15,20-tetra-4-pyridinyl-: (1)ACD/LogP: 5.22; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 8; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 108.92 Å2; (7)Index of Refraction: 1.711; (8)Molar Refractivity: 181.317 cm3; (9)Molar Volume: 463.294 cm3; (10)Polarizability: 71.88×10-24cm3; (11)Surface Tension: 70.806 dyne/cm; (12)Density: 1.335 g/cm3.

Preparation: this chemical can be prepared by pyrrole and pyridine-4-carbaldehyde. This reaction will need reagent EtCO2H.

When you are using this chemical, please be cautious about it as the following:
The 21H,23H-Porphine,5,10,15,20-tetra-4-pyridinyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: n1c7\C=C/c1c(c2ccncc2)c3ccc(n3)c(c4ccncc4)c5\C=C/c(n5)c(c6nc(cc6)c7c8ccncc8)c9ccncc9
(2)InChI: InChI=1/C40H26N8/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25/h1-24,45,48H/b37-29-,37-31-,38-30-,38-32-,39-33-,39-35-,40-34-,40-36-
(3)InChIKey: DNZSHSJERXNJGX-XXDGMDECBE
(4)Std. InChI: InChI=1S/C40H26N8/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25/h1-24,45,48H/b37-29-,37-31-,38-30-,38-32-,39-33-,39-35-,40-34-,40-36-
(5)Std. InChIKey: DNZSHSJERXNJGX-XXDGMDECSA-N

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