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C.I.Reactive Blue 21 - Industrial grade, high purity , CAS No.12236-86-1

COA

Grade & Purity:

Industrial grade

Cas Number: 12236-86-1
Molecular Weight: 1079.55
PubChem CID: 72941500
PubChem SID: 504772303

In stock

Item Number

C349638

Grouped product items
SKU	Size	Availability	Price	Qty
C349638-100g	100g	3	$57.90
C349638-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$114.90

Basic Description

Synonyms	SUMIFIX TURQUOIS BLUE G \| Levafix Turquoise Blue E-G \| DTXSID10893743 \| ReactiveBlue21 \| Q27256648 \| C.I. Reactive Blue 21 \| SUNZOL TURQUOISE BLUE G \| Remasol Turquoise Blue B \| REMAZOL TURQUOISE BLUE G 133 \| UNII-377M303BWG \| REACTIVE EMERALD BLUE KN-G \|
Specifications & Purity	Industrial grade
Storage Temp	Room temperature
Shipped In	Normal

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	Sulfanilides 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Isoindoles Organosulfonamides Sulfones Aminosulfonyl compounds Pyrroles Heteroaromatic compounds Organosulfonic acids Azacyclic compounds Primary alcohols Hydrocarbon derivatives Organic copper salts Organic oxides Organonitrogen compounds Organic cations
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phthalocyanine skeleton - Sulfanilide - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Isoindole or derivatives - Benzenesulfonyl group - Isoindole - Benzenoid - Organosulfonic acid amide - Monocyclic benzene moiety - Pyrrole - Organosulfonic acid or derivatives - Sulfone - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid - Sulfonyl - Azacycle - Organic transition metal salt - Alcohol - Organic nitrogen compound - Organic salt - Organic copper salt - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - 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

Pubchem Sid	504772303
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504772303
IUPAC Name	copper;33-[[4-(2-hydroxyethylsulfonyl)phenyl]sulfamoyl]-2,11,20,29,39,40-hexaza-37,38-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,15,24-trisulfonic acid
INCHI	InChI=1S/C40H25N9O14S5.Cu/c50-13-14-64(51,52)20-3-1-19(2-4-20)49-65(53,54)21-5-9-25-29(15-21)37-41-33(25)43-38-31-17-23(67(58,59)60)7-11-27(31)35(45-38)47-40-32-18-24(68(61,62)63)8-12-28(32)36(48-40)46-39-30-16-22(66(55,56)57)6-10-26(30)34(42-37)44-39;/h1-12,15-18,49-50H,13-14H2,(H3-2,41,42,43,44,45,46,47,48,55,56,57,58,59,60,61,62,63);/q-2;+2
InChIKey	WXQMFIJLJLLQIS-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)C4=NC5=NC(=NC6=NC(=NC7=C8C=C(C=CC8=C([N-]7)N=C3[N-]4)S(=O)(=O)O)C9=C6C=C(C=C9)S(=O)(=O)O)C1=C5C=C(C=C1)S(=O)(=O)O)S(=O)(=O)CCO.[Cu+2]
Isomeric SMILES	C1=CC(=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)C4=NC5=NC(=NC6=NC(=NC7=C8C=C(C=CC8=C([N-]7)N=C3[N-]4)S(=O)(=O)O)C9=C6C=C(C=C9)S(=O)(=O)O)C1=C5C=C(C=C1)S(=O)(=O)O)S(=O)(=O)CCO.[Cu+2]
PubChem CID	72941500
Molecular Weight	1079.55

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
E23231128	Certificate of Analysis	May 04, 2023	C349638
E2323850	Certificate of Analysis	May 04, 2023	C349638
E2323851	Certificate of Analysis	May 04, 2023	C349638

Chemical and Physical Properties

Molecular Weight	1079.600 g/mol
XLogP3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	23
Rotatable Bond Count	9
Exact Mass	1077.94 Da
Monoisotopic Mass	1077.94 Da
Topological Polar Surface Area	385.000 Å²
Heavy Atom Count	69
Formal Charge	0
Complexity	2430.000
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	2

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