Acid Blue 78

• CAS: 6424-75-5
• Catalog Number: ACM6424755
• Category: Other Products
• Molecular Weight: 509.305029
• Molecular Formula: C21H14BrN2NaO5S
• Description: Acid Blue 78, also known by its chemical name C.I. Acid Blue 78 or Acid Blue A2R, is a specific dye within the Acid Dye category.
• Synonyms: Acid Alizarine Sky Blue B, Merpacyl Blue SK, Telon Blue BL, Erionyl Blue E-B, Alizarine Blue GRL, Curol Pure Blue B, Solway Sky Blue B, Erio Fast Blue BS, Supernylite Blue BR, Acid Blue 78, Solway Sky Blue BA, Eriosin Fast Blue B, Alizarine Sky Blue B, Nylomine Blue A 2B, Sandolan Blue P-ARL, Anthraquinone Blue Sky, Fenazo Light Blue AC, Alizarine Acid Blue B, Alizarine Pure Blue B, Vondacid Fast Blue BR
• IUPAC Name: sodium;2-[(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)amino]-5-methylbenzenesulfonate
• Canonical SMILES: CC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)Br)S(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C21H15BrN2O5S.Na/c1-10-6-7-14(16(8-10)30(27,28)29)24-15-9-13(22)19(23)18-17(15)20(25)11-4-2-3-5-12(11)21(18)26;/h2-9,24H,23H2,1H3,(H,27,28,29);/q;+1/p-1
• InChI Key: QVCCZAZTGUCIHD-UHFFFAOYSA-M
• Solubility: Soluble in ethanol, o-chlorophenol, Pyridine, slightly soluble in acetone and soluble fiber element, insoluble in benzene, carbon tetrachloride, chloroform and pottery, solvents, toluene.
• Appearance: Solid powder
• Application: Acid dyes are water-soluble, anionic dyes that are commonly used to dye protein fibers such as silk, wool, and nylon. They are also used to dye leather and some synthetic fibers.
• Storage: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
• Complexity: 806
• Exact Mass: 507.97
• Features And Benefits: In the strong sulfuric acid as dark blue, red deepen after diluted.
• H-Bond Acceptor: 7
• H-Bond Donor: 2
• Heavy Atom Count: 31
• Hydrogen Bond Acceptor Count: 7
• Hydrogen Bond Donor Count: 2
• Isomeric SMILES: CC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)Br)S(=O)(=O)[O-].[Na+]
• Monoisotopic Mass: 507.97045
• PSA: 137.77
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 138Å2
• XLogP3: 5.4978

Case Study

Efficient Preparation Method of Acid Blue 78 Directly from Anthraquinone

Ghaieni H, et al. Dyes and Pigments, 2008, 77(3), 483-486.

Generally speaking, the production of Acid Blue 78 relies on the mononitration of 1-nitroanthraquinone, and this preparation procedure will produce by-products such as dinitroanthraquinone. It was found that nitration of anthraquinone ceases at 35-45% conversion to 1-nitroanthraquinone, at which point formation of by-products is minimal. Additional reaction steps are then performed until acid blue 78 is produced with high yield and good quality.
· Partial nitration of anthraquinone to prepare crude nitroanthraquinones.
· Converting the crude nitroanthraquinone to crude anthraquinon-1-amines by reduction with sodium sulfide.
· Converting the crude anthraquinonamines to 2,4-dibromoanthraquinon-1-amines with bromine in glacial acetic acid.
· Condensing p-toluidine with 2,4-dibromoanthraquinon-1-amines and formation of 2-bromo-4-p-toluidinoanthraquinon-1-amine.
· Formation of acid blue 78 with sulfonation.
· Separation of unreacted anthraquinone from acid blue 78 with dilution.

Study on the Adsorption of Anionic Dyes by Cross-Linked Cationic Starch

Klimaviciute, R., et al. J Polym Res. 2007, 14, 67-73.

Colored textile wastewater contains many substances that are difficult to remove and slowly biodegradable. A variety of anionic dyes, including Acid Blue 25, Acid Blue 78, Acid Orange 7, Acid Orange 52, Acid Red 151, and Acid Yellow 36, have been used as target dyes for adsorption and removal by cross-linked cationic starch. The adsorption of anionic dyes on modified starches containing only quaternary ammonium groups (CS) and cross-linked with epichlorohydrin starches containing quaternary ammonium groups (CCS) strictly follows the Langmuir adsorption model.
Adsorption investigations of anionic dyes
· The anionic dye solutions were prepared by dissolving the purified dye in the distilled water containing an equimolar amount of NaOH.
· In the experiments of the equilibrium dye adsorption the mixture of the cationic starch (containing 0.1 g of the dry material) and 100 cm3 of the dye solution were shaken (70 rpm) until equilibrium in orbital shaker at the fixed temperature.
· After filtration through a paper filter in the experiments with acid dyes or through a glass filter in a case of reactive dyes the absorbency at λmax of the supernatant solution was measured using a KFK colorimeter.

Custom Q&A

What is the molecular formula of Acid Blue 78?

The molecular formula of Acid Blue 78 is C21H14BrN2NaO5S.

What is the molecular weight of Acid Blue 78?

The molecular weight of Acid Blue 78 is 509.3 g/mol.

What is the IUPAC name of Acid Blue 78?

The IUPAC name of Acid Blue 78 is sodium;2-[(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)amino]-5-methylbenzenesulfonate.

What is the InChIKey of Acid Blue 78?

The InChIKey of Acid Blue 78 is QVCCZAZTGUCIHD-UHFFFAOYSA-M.

What is the Canonical SMILES of Acid Blue 78?

The Canonical SMILES of Acid Blue 78 is CC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)Br)S(=O)(=O)[O-].[Na+].

What is the CAS number of Acid Blue 78?

The CAS number of Acid Blue 78 is 6424-75-5.

How many hydrogen bond donors are present in Acid Blue 78?

Acid Blue 78 has 2 hydrogen bond donors.

How many hydrogen bond acceptors are present in Acid Blue 78?

Acid Blue 78 has 7 hydrogen bond acceptors.

How many rotatable bonds are present in Acid Blue 78?

Acid Blue 78 has 3 rotatable bonds.

Is Acid Blue 78 a canonicalized compound?

Yes, Acid Blue 78 is a canonicalized compound.