Acid Black 242

• CAS: 152521-11-4
• Catalog Number: ACM152521114
• Category: Acid Dyes
• Molecular Weight: 905.79
• Molecular Formula: C34H25N11Na2O11S3
• Description: Acid black 242 is a synthetic dye that belongs to the azo class of dyes. It is commonly used in the textile industry to dye cotton, wool, and silk fabrics. However, it has also been used in scientific research for various purposes, including staining of biological samples and as a pH indicator.
• Synonyms: 4-Amino-6-[4-[4-(2,4-diaminophenylazo)-phenylsulphamoyl]-phenylazo]-5-hydroxy-3-(4-nitrophenylazo)-naphthalene-2,7-disulphonic acid sodium salt
• IUPAC Name: disodium;5-amino-3-[[4-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]sulfamoyl]phenyl]diazenyl]-4-hydroxy-6-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate
• Canonical SMILES: C1=CC(=CC=C1NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(C4=C(C(=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC5=CC=C(C=C5)[N+](=O)[O-])N)O)N=NC6=C(C=C(C=C6)N)N.[Na+].[Na+]
• InChI: InChI=1S/C34H27N11O11S3.2Na/c35-19-1-14-27(26(36)17-19)41-38-20-2-4-23(5-3-20)44-57(49,50)25-12-8-22(9-13-25)40-43-33-29(59(54,55)56)16-18-15-28(58(51,52)53)32(31(37)30(18)34(33)46)42-39-21-6-10-24(11-7-21)45(47)48;;/h1-17,44,46H,35-37H2,(H,51,52,53)(H,54,55,56);;/q;2*+1/p-2
• InChI Key: UMXKOPCQCFDBHS-UHFFFAOYSA-L
• Appearance: Black Powder
• Application: Acid black 242 has been used in scientific research for various purposes, including staining of biological samples, as a pH indicator, and as a model compound for studying the adsorption of dyes on solid surfaces. It has also been used as a marker for the detection of DNA damage.
• Storage: Store at 2-8 ℃
• Complexity: 1840
• Exact Mass: 905.069
• Heavy Atom Count: 61
• Hydrogen Bond Acceptor Count: 21
• Hydrogen Bond Donor Count: 5
• Monoisotopic Mass: 905.06925274
• PSA: 403.98
• Rotatable Bond Count: 9
• Topological Polar Surface Area: 404Å2
• XLogP3: 12.6376

Case Study

Synthesis Method of Acid Black 242 Dye

Hongxun Chi, et al. Journal of Liaodong University: Natural Science Edition, 2013, 20(3): 156-160.

Acid black dye can be synthesized through multiple couplings of raw materials such as 4-4'-diaminobenzenesulfonylanilide, H acid, p-nitroaniline, and m-phenylenediamine. The dye raw materials involved in this method are easy to obtain, and the synthesized dye products have pure colors, high yields and good fastnesses.
Synthesis route of acid black 242 dye
· Firstly, diaminobenzenesulfonanilide (DASA) was double nitrogenated.
· Under acidic conditions, the above product is coupled with H acid to form a primary coupling product.
· Then p-nitroaniline is diazotized and coupled with the above-mentioned primary coupling product under alkaline conditions to obtain a secondary coupling product.
· Finally, the secondary coupling product and m-phenylenediamine were coupled for the third time under acidic conditions to obtain the final product acid black 242.

Custom Q&A

What is the molecular formula of Acid Black 242?

The molecular formula of Acid Black 242 is C34H25N11Na2O11S3.

What is the molecular weight of Acid Black 242?

The molecular weight of Acid Black 242 is 905.8 g/mol.

What are some synonyms for Acid Black 242?

Some synonyms for Acid Black 242 are C.I. Acid Brown 210 and disodium;5-amino-3-[[4-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]sulfamoyl]phenyl]diazenyl]-4-hydroxy-6-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate.

When was Acid Black 242 created?

Acid Black 242 was created on January 23, 2019.

What is the InChIKey of Acid Black 242?

The InChIKey of Acid Black 242 is UMXKOPCQCFDBHS-UHFFFAOYSA-L.

How many hydrogen bond donor counts does Acid Black 242 have?

Acid Black 242 has 5 hydrogen bond donor counts.

What is the topological polar surface area of Acid Black 242?

The topological polar surface area of Acid Black 242 is 404 2.

How many heavy atoms does Acid Black 242 contain?

Acid Black 242 contains 61 heavy atoms.

Does Acid Black 242 have any defined atom stereocenters?

No, Acid Black 242 does not have any defined atom stereocenters.

What is the complexity value of Acid Black 242?

The complexity value of Acid Black 242 is 1840.