Cu(II)meso-Tetra(4-chlorophenyl)porphine CAS#:16828-36-7

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product NameCu(II)meso-Tetra(4-chlorophenyl)porphine
IUPAC Namecopper;5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-22,24-diide
Molecular StructureStructure of Cu(II)meso-Tetra(4-chlorophenyl)porphine CAS 16828-36-7
CAS Registry Number 16828-36-7
EINECS NumberNo data available
MDL NumberNo data available
Beilstein Registry NumberNo data available
Synonyms5,10,15,20-tetrakis(4-chlorophenyl)porphyrinatocopper(II)cobalt(II) 5,10,15,20-tetrakis(4-chlorophenyl)porphyrincopper(II) 5,10,15,20-tetra(4-chlorophenyl)porphyrinate5,10,15,20-tetrakis(4-chlorophenyl)porphyrincopper(II)tetrakis(4-chlorophenyl)porphyrin copperCu(II) 5,10,15,20-tetra(4-chlorophenyl)porphyrinateT(p-Cl)PPCu
Molecular FormulaC44H24Cl4CuN4
Molecular Weight814.046
InChIInChI=1S/C44H24Cl4N4.Cu/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27;/h1-24H;/q-2;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40?;
InChI KeyVQAOAJVSUJOMBR-RKDHRWNISA-N
Canonical SMILES[Cu+2].ClC1C=CC(=CC=1)C1C2C=CC(N=2)=C(C2=CC=C([N-]2)C(=C2C=CC(=N2)C(=C2C=CC=1[N-]2)C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1 |c:33,t:14,29|
Patent Information
No data available

Physical Data

AppearanceWhite powder
SolubilityNo data available
Flash PointNo data available
Refractive indexNo data available
SensitivityNo data available

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Temperature (NMR Spectroscopy), °C Frequency (NMR Spectroscopy), MHz
Chemical shifts, Spectrum1Hdimethylsulfoxide-d626.84500
Chemical shifts1Hdimethylsulfoxide-d6300
Spectrum1H25125
Spectrum13C25125
Spectrum1Hd7-N,N-dimethylformamide
Solvent (IR Spectroscopy)Comment (IR Spectroscopy)
KBr400 cm**-1 – 4000 cm**-1
Description (Mass Spectrometry)
MALDI (Matrix assisted laser desorption ionization), time-of-flight mass spectra (TOFMS), spectrum
Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Comment (UV/VIS Spectroscopy)Absorption Maxima (UV/VIS), nm
N,N-dimethyl-formamide395, 415, 539, 579
Spectrumdimethyl sulfoxide415, 539
Band assignmentfurther solvent(s)250 nm – 860 nm
Band assignment, SpectrumCH2Cl2416 nm – 573 nm
benzene418 nm – 575 nm

Route of Synthesis (ROS)

Route of Synthesis (ROS) of Cu(II)meso-Tetra(4-chlorophenyl)porphine CAS 16828-36-7
Route of Synthesis (ROS) of Cu(II)meso-Tetra(4-chlorophenyl)porphine CAS 16828-36-7
ConditionsYield
In N,N-dimethyl-formamide for 0.00555556h; Heating;85%
In N,N-dimethyl-formamide

Safety and Hazards

GHS Hazard StatementsNot Classified
For more detailed information, please visit ECHA C&L website
Source: European Chemicals Agency (ECHA)
License Note: Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: “Source: European Chemicals Agency, http://echa.europa.eu/”. Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.
License URL: https://echa.europa.eu/web/guest/legal-notice
Record Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate
URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446
Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database

Other Data

TransportationUnder the room temperature and away from light
HS CodeNo data available
StorageUnder the room temperature and away from light
Shelf Life2 years
Market PriceUSD
Druglikeness
Lipinski rules component
Molecular Weight
814.059
HBA4
HBD0
Matching Lipinski Rules2
Veber rules component
Polar Surface Area (PSA)6.48
Rotatable Bond (RotB)4
Matching Veber Rules2
Use Pattern
Cu(II)meso-Tetra(4-chlorophenyl)porphine CAS#:16828-36-7 used as the intermediates of porphyrin class of compounds.

Buy Reagent

No reagent supplier? Send quick inquiry to ChemWhat
Want to be listed here as a reagent supplier? (Paid service) Click here to contact ChemWhat

Approved Manufacturers

Warshel Chemical Ltdhttp://www.warshel.com/
Want to be listed as an approved manufacturer (Free service but requires approvement)? Please download and fill out this form and send back to [email protected]

More Suppliers

Watson International Limited Send quick inquiry to Watson
Want to be listed here as a supplier? (Paid service) Click here to contact ChemWhat

Contact Us for Other Help

Contact us for other services like technology transfer, synthetic literature, sourcing, advertisement, etc. Click here to contact ChemWhat