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

• CAS: 16834-13-2
• Catalog Number: ACM16834132-2
• Category: Organic & Printed Electronics
• Molecular Weight: 618.7
• Molecular Formula: C40H26N8
• Description: Alfa Chemistry offers 5,10,15,20-Tetra(4-pyridyl)porphyrin products for various research purposes. Please contact us by email if you do not find the specification you are looking for on this page.
• Synonyms: 5,10,15,20-Tetra(4-pyridyl)-21H,23H-porphine
• IUPAC Name: 5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin
• Canonical SMILES: C1=CC2=C(C3=NC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C1N2)C6=CC=NC=C6)C7=CC=NC=C7)C8=CC=NC=C8)C=C3)C9=CC=NC=C9
• InChI: DNZSHSJERXNJGX-UHFFFAOYSA-N
• InChI Key: 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
• Melting Point: 90 °C
• Density: 1.335±0.06 g/cm3(Predicted)
• Appearance: Gray to Dark purple to Black powder to crystal
• Application: The porphyrin metal complexes are important in-vivo, because they are included in chlorophyll functioning photo absorption and photo electron transfer for photosynthesis, and also included in heme transporting oxygen in blood. In addition, porphyrinato metal complexes are useful for photoelectron functional materials, metal complex catalysts and molecular electrical conductors.
• Storage: Store under inert gas
• Absorption Wavelength: (max.) 438(0.1mol/L HCl) nm
• Complexity: 863
• Condition To Avoid: Air Sensitive
• Covalently-Bonded Unit Count: 1
• EC Number: 240-858-5
• Exact Mass: 618.228g/mol
• Features And Benefits: Chemical modifications of substituted groups, metal centers, and axial ligands on the porphyrinato metal complexes show various functionalities. Normal porphyrin complexes have sharp absorptions, around 400-500 nm, and the Q band around 500-700 nm which is a relatively weak absorption. Molar absorption coefficients of the Soret band are up to the order of 106 M/cm. The chlorophyll and porphyrinato zinc complexes hardly show energy relaxation of absorbed light, but easily show photoelectron transfer.
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 6
• H-Bond Donor: 2
• Heavy Atom Count: 48
• Isomeric SMILES: C1=CC2=C(C3=NC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C1N2)C6=CC=NC=C6)C7=CC=NC=C7)C8=CC=NC=C8)C=C3)C9=CC=NC=C9
• MDL Number: MFCD00005183
• Molar Extinction Coefficient: min. 150000(3mg/L, 0.1mol/L HCl, 437.0 to 440.0 nm)
• Monoisotopic Mass: 618.228g/mol
• Packaging: 1G-Glass Bottle with Plastic Insert
• Physical State: (20 deg.C) Solid
• Precautionary Statements: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• Refractive Index: 1.62
• Rotatable Bond Count: 4
• Signal Word: Warning
• Specific Gravity: 1.16
• Storage Conditions: Store at room temperature and dry
• Topological Polar Surface Area: 109A^2