Determine the necessary mass, volume, or concentration for preparing a solution.
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Argon charged Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C([N-]4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=CC=CC=C9C(=N8)N=C2[N-]3.[Na+].[Na+] |
|---|---|
| IUPAC Name | disodium;2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene |
| InChIKey | RLDWIFDMZUBMGW-UHFFFAOYSA-N |
| INCHI | 1S/C32H16N8.2Na/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;;/h1-16H;;/q-2;2*+1 |
| Isómeros SMILES | C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C([N-]4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=CC=CC=C9C(=N8)N=C2[N-]3.[Na+].[Na+] |
| Peso molecular | 558.52 |
| Reaxy-Rn | 16772258 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=16772258&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Tetrapyrroles and derivatives |
| Subclass | Phthalocyanines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phthalocyanines |
| Alternative Parents | Isoindoles Benzenoids Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic sodium salts Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phthalocyanine skeleton - Isoindole or derivatives - Isoindole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organic alkali metal salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organic zwitterion - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phthalocyanines. These are cyclic tetrapyrroles that contain a phthalocyanine skeleton, which consists of four isoindole-type units, with the connecting carbon atoms in the macrocycle replaced by nitrogen. |
| External Descriptors | Not available |
| Sensibilidad | Moisture sensitive |
|---|---|
| Peso molecular | 558.500 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 0 |
| Exact Mass | 558.129 Da |
| Monoisotopic Mass | 558.129 Da |
| Topological Polar Surface Area | 79.300 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 709.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 3 |