CI 42755

• CAS: 28631-66-5
• Catalog Number: ACM28631665
• Category: Acid Dyes
• Molecular Weight: 737.73
• Molecular Formula: C32H25N3O9S3.2Na
• Description: Water blue is an organic sodium salt resulting from the formal condensation of NSC 56820 with 2 mol eq. of sodium hydroxide.
• Synonyms: MARINE BLUE, NSC8677, ANILINE BLUE, WATER SOLUBLE, CID407402, ZINC04261931, 28631-66-5
• IUPAC Name: 4-[[4-(anilino)phenyl]-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline
• Canonical SMILES: CC1=CC(=CC(=C1N)S(=O)(=O)[O-])C(=C2C=CC(=NC3=CC=C(C=C3)S(=O)(=O)O)C=C2)C4=CC=C(C=C4)NC5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C32H27N3O9S3.2Na/c1-20-18-23(19-30(32(20)33)47(42,43)44)31(21-2-6-24(7-3-21)34-26-10-14-28(15-11-26)45(36,37)38)22-4-8-25(9-5-22)35-27-12-16-29(17-13-27)46(39,40)41;;/h2-19,34H,33H2,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2
• InChI Key: LBLFVSANTXZPEX-UHFFFAOYSA-N
• Appearance: Dark reddish-brown or blue crystals
• Application: It is used as a histological stain for collagen and in Mallory's method for connective tissue. It has a role as a histological dye.
• Storage: Store at +15°C to +30°C.
• EC Number: 249-113-9
• Exact Mass: 737.05481
• Hazard Codes: Xi: Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• HTS Code: 32041200
• MDL Number: MFCD00036130
• PSA: 244.32
• XLogP3: 8.9729

Case Study

Electrochemical Oxidation Removal Method of Acid Blue 22

Panizza, et al. Journal of hazardous materials, 2008, 153 (1-2), 83-88.

Acid blue 22 is a triarylmethane dye containing many aromatic rings and sulfonic acid groups. Electrochemical oxidation methods have been used to treat acid blue22. Using boron-doped diamond electrode (BDD) as anode material, the removal capability and mechanism of acid blue 22 in wastewater via electrochemical oxidation were explored.
· A polymeric film, which caused electrode fouling, developed during oxidation in the potential region of water stability, which could be removed by high-potential anodic polarisation in the region of O2 evolution.
· Complete COD and colour removal was obtained within the investigated range regardless of current density, flow rate, temperature, and initial dye concentration, due to the formation of hydroxyl radicals from the water discharge.
· The oxidation rate was significantly affected by electrolyte flow rate and dye concentration, meaning that oxidation was under mass-transport control.
· High temperatures improve chemical decomposition of electrogenerated peroxodisulphate, thus decreasing the global oxidation rate.

The Removal of Aniline Blue Through Nanofiltration Composite Membrane

Shao L, et al. Journal of Membrane Science, 2013, 430, 96-105.

Acid blue 22, also known as aniline blue, is a common component of dyeing industrial wastewater. A novel thin film composite (TFC) nanofiltration (NF) membrane was developed through interfacial polymerization (IP) on the lumen side of a hollow fiber-supported membrane, which can be used to remove typical dyes from aqueous solutions, including aniline blue and Safranin O.
The adsorption effect for aniline blue
· The molecular weight of aniline blue is 753.8 g mol-1, which is greater than the molecular weight cut-off of the fabricated membrane. In addition, aniline blue dye is charged, and the three-dimensional size of the dye after ionization is expected to be 1.50×1.38×0.53 nm3.
· For the separation of aniline blue dye from aqueous solution, the rejection rate depends not only on the pore size but also on the influence of electrostatic forces between the membrane and the dye.
· The NF membrane has a rejection rate of aniline blue higher than 90% under appropriate conditions, and the flux of the dye solution increases with the increase of operating pressure and decreases with the increase of feed concentration.

Custom Q&A

What is the molecular formula of the compound with PubChem CID 135871623?

The molecular formula is C32H25N3Na2O9S3.

What are some synonyms of the compound with PubChem CID 135871623?

Some synonyms include Aniline Blue, C.I. Acid Blue 22, and Aniline Blue (spirit soluble).

When was the compound with PubChem CID 135871623 created and last modified?

It was created on 2019-01-18 and last modified on 2023-12-23.

What is the molecular weight of the compound with PubChem CID 135871623?

The molecular weight is 737.7 g/mol.

What are the main component compounds of the compound with PubChem CID 135871623?

The main component compounds are Sodium and Acid Blue 22 free acid.

What is the IUPAC name of the compound with PubChem CID 135871623?

The IUPAC name is disodium;2-amino-3-methyl-5-[[4-(4-sulfonatoanilino)phenyl]-[4-(4-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate.

What is the Canonical SMILES notation of the compound with PubChem CID 135871623?

The Canonical SMILES is CC1=CC(=CC(=C1N)S(=O)(=O)[O-])C(=C2C=CC(=NC3=CC=C(C=C3)S(=O)(=O)O)C=C2)C4=CC=C(C=C4)NC5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+].

What is the InChIKey of the compound with PubChem CID 135871623?

The InChIKey is XOSXWYQMOYSSKB-UHFFFAOYSA-L.

How many hydrogen bond donor counts does the compound with PubChem CID 135871623 have?

It has 3 hydrogen bond donor counts.

Is the compound with PubChem CID 135871623 canonicalized?

Yes, the compound is canonicalized.

What are some synonyms for the compound with PubChem CID 135871623?

Some synonyms include Aniline Blue, C.I. Acid Blue 22, and Aniline Blue (spirit soluble).

When was the compound with PubChem CID 135871623 created?

It was created on January 18, 2019.

What is the exact mass of the compound with PubChem CID 135871623?

The exact mass is 737.05483147 g/mol.

What is the topological polar surface area of the compound with PubChem CID 135871623?

The topological polar surface area is 244Ų.

How many covalently-bonded unit counts does the compound with PubChem CID 135871623 have?

It has 3 covalently-bonded unit counts.

What is the molecular formula of Acid Blue 22?

The molecular formula of Acid Blue 22 is C32H25N3Na2O9S3.

What is the molecular weight of Acid Blue 22?

The molecular weight of Acid Blue 22 is 737.7 g/mol.

What are some synonyms for Acid Blue 22?

Some synonyms for Acid Blue 22 include C.I. Acid Blue 22, Acid Blue 22 Marine Blue, and Aniline Blue.

When was Acid Blue 22 created and modified?

Acid Blue 22 was created on 2009-01-15 and modified on 2023-12-02.

What is Acid Blue 22 used for?

Acid Blue 22 is used as a histological stain for collagen and in Mallory's method for connective tissue.

What is the Canonical SMILES for Acid Blue 22?

The Canonical SMILES for Acid Blue 22 is CC1=CC(=CC(=C1N)S(=O)(=O)[O-])C(=C2C=CC(=[NH+]C3=CC=C(C=C3)S(=O)(=O)[O-])C=C2)C4=CC=C(C=C4)NC5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+]

What is the InChIKey for Acid Blue 22?

The InChIKey for Acid Blue 22 is XOSXWYQMOYSSKB-UHFFFAOYSA-L.

What is the European Community (EC) Number for Acid Blue 22?

The European Community (EC) Number for Acid Blue 22 is 249-113-9.

What is the topological polar surface area of Acid Blue 22?

The topological polar surface area of Acid Blue 22 is 249Ų.

How many hydrogen bond acceptor count does Acid Blue 22 have?

Acid Blue 22 has 11 hydrogen bond acceptor count.