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2,11,20,29-Tetra-tert-butyl-2,3-naphthalocyanine - Dye content 97%, high purity , CAS No.58687-99-3

COA

Grade & Purity:

Dye content 97%

Cas Number: 58687-99-3
Molecular Weight: 939.2
MDL number: MFCD00192468
PubChem CID: 5775554

In stock

Item Number

T478404

Grouped product items
SKU	Size	Availability	Price	Qty
T478404-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$334.90

Basic Description

Synonyms	DTXSID90420935 \| 8,21,34,47-Tetratert-butyl-2,15,28,41,53,54,55,56-octazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30(39),31,33,35,37,40(54)
Specifications & Purity	Dye content 97%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Tetrapyrroles and derivatives
    - Subclass Phthalocyanines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Tetrapyrroles and derivatives
Subclass	Phthalocyanines
Intermediate Tree Nodes	Not available
Direct Parent	Phthalocyanines
Alternative Parents	Naphthalenes Isoindoles Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phthalocyanine skeleton - Naphthalene - Isoindole or derivatives - Isoindole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	8,21,34,47-tetratert-butyl-2,15,28,41,53,54,55,56-octazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30(39),31,33,35,37,40(54),41,43(52),44,46,48,50-heptacosaene
INCHI	InChI=1S/C64H58N8/c1-61(2,3)41-17-13-33-25-45-49(29-37(33)21-41)57-65-53(45)70-58-51-31-39-23-43(63(7,8)9)19-15-35(39)27-47(51)55(67-58)72-60-52-32-40-24-44(64(10,11)12)20-16-36(40)28-48(52)56(68-60)71-59-50-30-38-22-42(62(4,5)6)18-14-34(38)26-46(50)54(66-59)69-57/h13-32H,1-12H3,(H2,65,66,67,68,69,70,71,72)
InChIKey	FZJGGSUDHJDHRJ-UHFFFAOYSA-N
Smiles	CC(C)(C)C1=CC2=CC3=C(C=C2C=C1)C4=NC5=C6C=C7C=C(C=CC7=CC6=C(N5)N=C8C9=C(C=C1C=CC(=CC1=C9)C(C)(C)C)C(=N8)N=C1C2=C(C=C5C=CC(=CC5=C2)C(C)(C)C)C(=N1)N=C3N4)C(C)(C)C
Isomeric SMILES	CC(C)(C)C1=CC2=CC3=C(C=C2C=C1)C4=NC5=C6C=C7C=C(C=CC7=CC6=C(N5)N=C8C9=C(C=C1C=CC(=CC1=C9)C(C)(C)C)C(=N8)N=C1C2=C(C=C5C=CC(=CC5=C2)C(C)(C)C)C(=N1)N=C3N4)C(C)(C)C
PubChem CID	5775554
Molecular Weight	939.2

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Flash Point(°F)	Not applicable
Flash Point(°C)	Not applicable

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