Direct Blue 15 - Biological stain , CAS No.2429-74-5

CAS: 2429-74-5 Cat. No.: D331152 Formula: C₃₄H₂₄N₆Na₄O₁₆S₄ Molecular Weight: 992.8 EC Number: 219-385-3

GRADE & PURITY Biological stain

Synonyms

C.I. DIRECT BLUE 15 [HSDB] | Tetrasodium 3,3'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(5-amino-4-hydroxynaphthalene-2,7-disulphonate) | Amanil Sky Blue | HSDB 4227 | Sky Blue 5B | Atul Direct Sky Blue | CHEBI:82305 | Diazol Pure Blue 4B | 5C

Storage

Room temperature

Shipped In

Normal

Overview

Direct Blue 15 is a dimethoxybenzidine-based dye which is reported to be useful as a substitute for trypan blue in some biological and staining applications. This dye has been utilized in research analyzing the degradation of this and other azo dyes by intestinal microflora. Other reports indicate that this dye can be degraded by peroxidase enzymes from the plants|Ipomea palmata|and|Saccharum spontaneum|.|Other direct dyes offered include: Direct Red 23 , Direct Red 80 , Direct Red 81 , Direct Yellow 27 , Direct yellow 50 , Direct Blue 71 and Direct Violet 51 .

Specifications

Synonyms

C.I. DIRECT BLUE 15 [HSDB] | Tetrasodium 3,3'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(5-amino-4-hydroxynaphthalene-2,7-disulphonate) | Amanil Sky Blue | HSDB 4227 | Sky Blue 5B | Atul Direct Sky Blue | CHEBI:82305 | Diazol Pure Blue 4B | 5C

Specifications & Purity

Biological stain

Storage

Room temperature

Shipped In

Normal

Grade

Biological stain

Names and Identifiers

Pubchem Sid

488182337

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182337

Canonical Smiles

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N)O)OC)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])N)O.[Na+].[Na+].[Na+].[Na+]

IUPAC Name

tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate

InChIKey

OLSOUGWNONTDCK-UHFFFAOYSA-J

INCHI

1S/C34H28N6O16S4.4Na/c1-55-25-9-15(3-5-23(25)37-39-31-27(59(49,50)51)11-17-7-19(57(43,44)45)13-21(35)29(17)33(31)41)16-4-6-24(26(10-16)56-2)38-40-32-28(60(52,53)54)12-18-8-20(58(46,47)48)14-22(36)30(18)34(32)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N)O)OC)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])N)O.[Na+].[Na+].[Na+].[Na+]

WGK Germany

3

RTECS

QJ6420000

Molecular Weight

992.8

Reaxy-Rn

3660005

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3660005&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives
        • Level5 Benzidines
          • Level6 3,3'-disubstituted benzidines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Benzidines
• Direct Parent: 3,3'-disubstituted benzidines
• Alternative Parents: 2-naphthalene sulfonates 2-naphthalene sulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Phenoxides Organosulfonic acids Sulfonyls Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic sodium salts Hydrocarbon derivatives Primary amines Organic oxides Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 3,3'-disubstituted benzidine - Naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Naphthalene - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Phenoxide - Alkyl aryl ether - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Azo compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic alkali metal salt - Ether - Organic nitrogen compound - Amine - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 3,3'-disubstituted benzidines. These are organic compounds containing a benzidine skeleton, which is substituted only at the 3- and 3'-positions.
• External Descriptors: Not available

Data sources

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

Chemical and Physical Properties

• Molecular Weight: 992.800 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 7
• Exact Mass: 991.972 Da
• Monoisotopic Mass: 991.972 Da
• Topological Polar Surface Area: 423.000 Ų
• Heavy Atom Count: 64
• Formal Charge: 0
• Complexity: 1830.000
• 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: 5

XLogP3

Frequently Asked Questions

What does Biological Stain mean?

Biological Stain indicates that the product has been processed and tested for biological and biochemical applications. Specifications may include endotoxin limits, microbial controls, sterility, low DNase/RNase/protease activity, and verified biological activity where relevant.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2429-74-5, the molecular formula is C34H24N6Na4O16S4, and the molecular weight is 992.8 g/mol. InChIKey OLSOUGWNONTDCK-UHFFFAOYSA-J.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.