MedKoo Cat#: 161210 | Name: BKN95118
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Description:

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

BKN95118, also known as Pd(II) meso-Tetra(4-fluorophenyl)tetrabenzoporphyrin is a synthetic porphyrin. BKN95118 is used in Tunable Phosphorescent NIR Oxygen Indicators. This product has no formal name at the moment. For the convenience of communication, a temporal code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).

Chemical Structure

BKN95118
BKN95118
CAS#1092095-11-8

Theoretical Analysis

MedKoo Cat#: 161210

Name: BKN95118

CAS#: 1092095-11-8

Chemical Formula: C60H32F4N4Pd

Exact Mass: 990.1598

Molecular Weight: 991.36

Elemental Analysis: C, 72.69; H, 3.25; F, 7.67; N, 5.65; Pd, 10.73

Price and Availability

Size Price Availability Quantity
50mg USD 815.00 2 Weeks
100mg USD 1,470.00 2 Weeks
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Related CAS #
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Synonym
BKN95118; BKN-95118; BKN 95118; Pd(II) meso-Tetra(4-fluorophenyl)tetrabenzoporphyrin; Pd (II) meso-Tetra(4-fluorophenyl)tetrabenzoporphyrin;
IUPAC/Chemical Name
n/a
InChi Key
BVVWQTKDQGGJJS-KCVIGMLFSA-N
InChi Code
InChI=1S/C60H32F4N4.Pd/c61-37-25-17-33(18-26-37)49-53-41-9-1-2-10-42(41)54(65-53)50(34-19-27-38(62)28-20-34)56-45-13-5-6-14-46(45)58(67-56)52(36-23-31-40(64)32-24-36)60-48-16-8-7-15-47(48)59(68-60)51(35-21-29-39(63)30-22-35)57-44-12-4-3-11-43(44)55(49)66-57;/h1-32H;/q-2;+2/b53-49-,54-50-,55-49-,56-50-,57-51-,58-52-,59-51-,60-52-;
SMILES Code
FC1=CC=C(C=C1)/C(C(C2=C/3C=CC=C2)=NC3=C4\C5=CC=C(C=C5)F)=C(C6=C(/C7=C8\C9=CC=C(C=C9)F)C=CC=C6)/N7[Pd]N%10C4=C%11C(C=CC=C%11)=C%10/C(C%12=CC=C(C=C%12)F)=C%13N=C8C%14=C\%13C=CC=C%14
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 991.36 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.) Niedermair, et al. Tunable Phosphorescent NIR Oxygen Indicators Based on Mixed Benzo- and Naphthoporphyrin Complexes. Inorg. Chem. 2010, 49, 20, 9333–9342. https://doi.org/10.1021/ic100955z 2.) Borisov, et al. New NIR-emitting complexes of platinum(II) and palladium(II) with fluorinated benzoporphyrins. Journal of Photochemistry and Photobiology A: Chemistry. Volume 201, Issues 2–3, 25 January 2009, Pages 128-135. https://doi.org/10.1016/j.jphotochem.2008.10.003 3.) Ehgartner, et al. Online analysis of oxygen inside silicon-glass microreactors with integrated optical sensors. Sensors and Actuators B: Chemical. Volume 228, 2 June 2016, Pages 748-757. https://doi.org/10.1016/j.snb.2016.01.050 4.) Monguzzi, et al. Efficient Broadband Triplet–Triplet Annihilation-Assisted Photon Upconversion at Subsolar Irradiance in Fully Organic Systems. Advanced Functional Materials. Volume 25, Issue 35, September 16, 2015, Pages 5617-5624. https://doi.org/10.1002/adfm.201502507 5.) Kwak, et al. Deactivation of redox mediators in lithium-oxygen batteries by singlet oxygen. Nat Commun 10, 1380 (2019). https://doi.org/10.1038/s41467-019-09399-0