Acid blue 145

• CAS: 6408-80-6
• Catalog Number: ACM6408806
• Category: Other Products
• Molecular Weight: 532.45
• Molecular Formula: C21H14N2Na2O8S2
• Description: C.I. Acid Blue 145 is a synthetic dye that is widely used in the textile industry for coloring fabrics. It is a water-soluble dye that is commonly used for dyeing cotton, wool, silk, and nylon.
• Synonyms: 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-(4-methyl-2-sulfophenyl)amino-9,10-dioxo-, disodium salt;C.I.ACIDBLUE145;Acid blue 145 (C.I. 62070);B
• IUPAC Name: disodium;1-amino-4-(4-methyl-2-sulfonatoanilino)-9,10-dioxoanthracene-2-sulfonate
• Canonical SMILES: CC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C21H16N2O8S2.2Na/c1-10-6-7-13(15(8-10)32(26,27)28)23-14-9-16(33(29,30)31)19(22)18-17(14)20(24)11-4-2-3-5-12(11)21(18)25;;/h2-9,23H,22H2,1H3,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2
• InChI Key: RHCZISCTNGVWCV-UHFFFAOYSA-L
• Density: 1.343 g/mL
• Solubility: Soluble in water, ethanol and soluble fiber element, insoluble in benzene, chloroform organic solvents.
• Appearance: Powder
• Application: C.I. Acid Blue 145 has been extensively studied for its potential applications in various scientific fields. It has been used as a pH indicator in analytical chemistry, as a fluorescent probe for DNA detection, and as a sensitizing agent for solar cells.
• Storage: Store at 2-8 ℃
• Complexity: 976
• EC Number: 229-069-7
• Exact Mass: 531.999
• Heavy Atom Count: 35
• Hydrogen Bond Acceptor Count: 10
• Hydrogen Bond Donor Count: 2
• Monoisotopic Mass: 531.99869632
• PSA: 203.35
• Refractive Index: 1.693
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 203Å2
• XLogP3: 4.7202

Case Study

Preparation of Acid Blue 145 from the Condensation Reaction of Bromaminic Acid and Aromatic Amines

Yuyin Zhang, et al. Ningbo Chemical Industry, 2003 (3), 42-44.

There are two common synthesis routes for acid blue 145. One is that bromaminic acid is condensed with p-toluidine and then sulfonated. The other is the condensation of bromaminic acid and 2-amino-5-methylbenzenesulfonic acid. The condensation reaction between bromaminic acid and arylamine is a nucleophilic substitution reaction.
Steps to synthesize acid blue 145 according to route 1
· Stir bromaminic acid, 150ml water, 150ml ethanol, 20g p-toluidine and 35g acid binding agent in a water bath heating (75-80°C).
· Then slowly add 10g of mixed catalyst and control the addition to complete in 1 hour. Continue the reaction for 6 hours, raise the temperature and evaporate to recover ethanol.
· After steaming, add 200ml of water and adjust the pH to 1-2 with HCl. After holding for half an hour, filter, clean and dry the filter cake to collect the color base of acid blue 145.
· Slowly add the prepared Acid Blue 145 color base to fuming sulfuric acid (cooled to room temperature), and then raise the temperature to 40-50°C until the color base disappears. Dilute the sulfonation solution into ice-cold sodium chloride solution, filter, salt out, and dry to obtain acid blue 145 original dye.

Custom Q&A

What is the PubChem CID of Acid Blue 145?

The PubChem CID of Acid Blue 145 is 62606.

What is the molecular formula of Acid Blue 145?

The molecular formula of Acid Blue 145 is C21H14N2Na2O8S2.

What is the molecular weight of Acid Blue 145?

The molecular weight of Acid Blue 145 is 532.5 g/mol.

What are the synonyms of Acid Blue 145?

The synonyms of Acid Blue 145 are C.I. Acid Blue 145, 6408-80-6, and Acid Blue 145 disodium.

What is the IUPAC name of Acid Blue 145?

The IUPAC name of Acid Blue 145 is disodium;1-amino-4-(4-methyl-2-sulfonatoanilino)-9,10-dioxoanthracene-2-sulfonate.

What is the InChI of Acid Blue 145?

The InChI of Acid Blue 145 is InChI=1S/C21H16N2O8S2.2Na/c1-10-6-7-13(15(8-10)32(26,27)28)23-14-9-16(33(29,30)31)19(22)18-17(14)20(24)11-4-2-3-5-12(11)21(18)25;;/h2-9,23H,22H2,1H3,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2.

What is the InChIKey of Acid Blue 145?

The InChIKey of Acid Blue 145 is RHCZISCTNGVWCV-UHFFFAOYSA-L.

What is the canonical SMILES of Acid Blue 145?

The canonical SMILES of Acid Blue 145 is CC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].

What is the CAS number of Acid Blue 145?

The CAS number of Acid Blue 145 is 6408-80-6.

What is the hydrogen bond acceptor count of Acid Blue 145?

The hydrogen bond acceptor count of Acid Blue 145 is 10.