C.I.Acid Blue 76
[CAS# 12238-39-0]

Identification

• Name: C.I.Acid Blue 76
• Synonyms: Barium(+2) Cation; 5-Chloro-4-Methyl-2-[(N'z)-N'-(2-Oxo-1-Naphthylidene)Hydrazino]Benzenesulfonate; Barium(+2) Cation; 5-Chloro-2-[(N'z)-N'-(2-Keto-1-Naphthylidene)Hydrazino]-4-Methyl-Benzenesulfonate; 1-(4-Chloro-O-Sulfo-5-Tolylazo)-2-Naphthol, Barium Salt
• Molecular Formula: C₃₄H₂₄BaCl₂N₄O₈S₂
• Molecular Weight: 888.95
• CAS Registry Number: 12238-39-0 (15958-19-7)
• SMILES: C1=C(C(=CC(=C1N\N=C3\C2=CC=CC=C2C=CC3=O)[S]([O-])(=O)=O)Cl)C.C4=C(C(=CC(=C4N\N=C6\C5=CC=CC=C5C=CC6=O)[S]([O-])(=O)=O)Cl)C.[Ba++]
• InChI: 1S/2C17H13ClN2O4S.Ba/c2*1-10-8-14(16(9-13(10)18)25(22,23)24)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2*2-9,19H,1H3,(H,22,23,24);/q;;+2/p-2/b2*20-17-
• InChIKey: JNIGYQOBELCEIZ-MAKDUZDQSA-L

References

• (1): Hergué Noémie. Synthesis of 3,4-alkoxythieno[2,3-b]thiophene derivatives. The first block copolymer associating the 3,4-ethylenedioxythieno[2,3-b]thiophene (EDOThT) unit with 3,4-ethylenedioxythiophene (EDOT) moieti es, Organic & Biomolecular Chemistry, 2007