MedKoo Cat#: 161163 | Name: OPN16828
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

OPN16828, also known as meso-Tetra(2-nitrophenyl) porphine, is a synthetic porphyrin product. OPN16828, along with other nitroporphyrins, are often used as commercial dyes with industrial applications.

Chemical Structure

OPN16828
OPN16828
CAS#37116-82-8

Theoretical Analysis

MedKoo Cat#: 161163

Name: OPN16828

CAS#: 37116-82-8

Chemical Formula: C44H26N8O8

Exact Mass: 794.1874

Molecular Weight: 794.74

Elemental Analysis: C, 66.50; H, 3.30; N, 14.10; O, 16.10

Price and Availability

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100mg USD 615.00 2 Weeks
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Related CAS #
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Synonym
OPN16828; OPN-16828; OPN 16828; meso-Tetra(2-nitrophenyl) porphine; 5,10,15,20-tetrakis(2-nitrophenyl)porphyrin;
IUPAC/Chemical Name
5,10,15,20-tetrakis(2-nitrophenyl)porphyrin
InChi Key
OQFXLKPXTVQULX-PABOUGRJSA-N
InChi Code
InChI=1S/C44H26N8O8/c53-49(54)37-13-5-1-9-25(37)41-29-17-19-31(45-29)42(26-10-2-6-14-38(26)50(55)56)33-21-23-35(47-33)44(28-12-4-8-16-40(28)52(59)60)36-24-22-34(48-36)43(32-20-18-30(41)46-32)27-11-3-7-15-39(27)51(57)58/h1-24,45,48H/b41-29-,41-30-,42-31-,42-33-,43-32-,43-34-,44-35-,44-36-
SMILES Code
O=[N+]([O-])C1=C(/C(C(C=C/2)=NC2=C3C4=CC=CC=C4[N+]([O-])=O)=C(C=C/5)/NC5=C(C6=CC=CC=C6[N+]([O-])=O)/C(C=C/7)=NC7=C(C8=CC=C\3N8)\C9=C(C=CC=C9)[N+]([O-])=O)C=CC=C1
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 794.74 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1.) Farley, C., Aggarwal, A., Singh, S., Dolor, A., To, P., Falber, A., ... & Drain, C. M. (2018). A structural model of nitro‐porphyrin dyes based on spectroscopy and density functional theory. Journal of computational chemistry, 39(18), 1129-1142. 2.) Apfel, et al. Homolytic versus Heterolytic Hydrogen Evolution Reaction Steered by a Steric Effect. Angewandte Chemie – International Edition, 2020, vol. 59, # 23, p. 8941 – 8946. https://doi.org/10.1002/anie.202002311 3.) Das, et al. Iron-Catalyzed Amination of Strong Aliphatic C(sp3)-H Bonds. Journal of the American Chemical Society, 2020, vol. 142, # 38, p. 16211 – 16217. https://doi.org/10.1021/jacs.0c07810 4.) Apfel, et al. Controlling Oxygen Reduction Selectivity through Steric Effects: Electrocatalytic Two-Electron and Four-Electron Oxygen Reduction with Cobalt Porphyrin Atropisomers. Angewandte Chemie – International Edition, 2021, vol. 60, # 23, p. 12742 – 12746. https://doi.org/10.1002/anie.202102523 5.) Nasrollahi, et al. Kinetics and mechanistic studies on the formation and reactivity of high valent MnO porphyrin species: Mono-: ortho or para -substituted porphyrins versus a di- ortho -substituted one. New Journal of Chemistry, 2018, vol. 42, # 3, p. 1806 – 1815. https://doi.org/10.1039/C7NJ04233G 6.) Khvostichenko, et al. Simple heme dimers with strongly cooperative ligand binding. Angewandte Chemie – International Edition, 2007, vol. 46, # 44, p. 8368 – 8370. https://doi.org/10.1002/anie.200702120