Direct Black 38 - Dye content,≥45 % , CAS No.1937-37-7

CAS: 1937-37-7 Cat. No.: D118564 Formula: C₃₄H₂₅N₉Na₂O₇S₂ Molecular Weight: 781.73 EC Number: 217-710-3

GRADE & PURITY Dye content,≥45 %

Synonyms

Azine Deep Black EW | Direct Black EW | Direct Black RX | CI DIRECT BLACK 38 | Direct Black EX | Formic Black MTG | Atlantic Black BD | Mitsui Direct Black GX | Atlantic Black E | ATul Direct Black E | Brasilamina Black GN | Diazine Direct Black E | Direc

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Azine Deep Black EW | Direct Black EW | Direct Black RX | CI DIRECT BLACK 38 | Direct Black EX | Formic Black MTG | Atlantic Black BD | Mitsui Direct Black GX | Atlantic Black E | ATul Direct Black E | Brasilamina Black GN | Diazine Direct Black E | Direc

Specifications & Purity

Dye content,≥45 %

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

Pubchem Sid

488195278

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195278

Canonical Smiles

C1=CC=C(C=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=NC6=C(C=C(C=C6)N)N)N)O.[Na+].[Na+]

IUPAC Name

disodium;4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]phenyl]phenyl]diazenyl]-5-hydroxy-6-phenyldiazenylnaphthalene-2,7-disulfonate

InChIKey

XRPLBRIHZGVJIC-UHFFFAOYSA-L

INCHI

1S/C34H27N9O7S2.2Na/c35-22-10-15-27(26(36)18-22)41-38-24-11-6-19(7-12-24)20-8-13-25(14-9-20)40-42-32-28(51(45,46)47)16-21-17-29(52(48,49)50)33(34(44)30(21)31(32)37)43-39-23-4-2-1-3-5-23;;/h1-18,44H,35-37H2,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=NC6=C(C=C(C=C6)N)N)N)O.[Na+].[Na+]

WGK Germany

3

RTECS

QJ6160000

Molecular Weight

781.73

Reaxy-Rn

8535071

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8535071&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzidines
• Alternative Parents: 2-naphthalene sulfonates 2-naphthalene sulfonic acids and derivatives Azobenzenes 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines Phenoxides Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic sodium salts Organic zwitterions Organooxygen compounds Primary amines Organic oxides
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene sulfonate - Azobenzene - Benzidine - 2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Naphthalene - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Aniline or substituted anilines - Phenoxide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic alkali metal salt - Organic sodium salt - Amine - Organic salt - Primary amine - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzidines. These are organic compounds containing the benzidine skeleton, made up of a biphenyl ring system substituted at the 4- and 4'-positions with a unsubstituted amine group.
• 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

• Melt Point(°C): 109-110°C
• Molecular Weight: 781.700 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 7
• Exact Mass: 781.111 Da
• Monoisotopic Mass: 781.111 Da
• Topological Polar Surface Area: 304.000 Ų
• Heavy Atom Count: 54
• Formal Charge: 0
• Complexity: 1460.000
• 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

XLogP3

Frequently Asked Questions

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 1937-37-7, the molecular formula is C34H25N9Na2O7S2, and the molecular weight is 781.73 g/mol. InChIKey XRPLBRIHZGVJIC-UHFFFAOYSA-L.

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.