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Acid Black 52

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  • Name Acid Black 52
  • EINECS227-029-3
  • CAS No. 5610-64-0
  • Density1.64g/cm3
  • PSA529.74000
  • LogP18.70770
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC60H36Cr2N9O21S3.3Na
  • Boiling PointN/A
  • Molecular Weight1488.13
  • Flash PointN/A
  • Transport InformationN/A
  • Appearanceblack powder
  • Safety24/25
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 5610-64-0 (Acid Black 52)
  • Hazard SymbolsN/A
  • SynonymsN/A

Acid Black 52 Specification

The IUPAC name of C.I. Acid Black 52 is trisodium; chromium;4-[(2-hydroxynaphthalen-1-yl)hydrazinylidene]-7-nitro-3-oxonaphthalene-1-sulfonate. With the CAS registry number 5610-64-0, it is also named as 3-Hydroxy-4-((2-hydroxy-1-naphthalenyl)azo)-7-nitro-1-naphthalenesulfonic acid, monosodium salt, chromium complex. The product's categorie is UVCBs-organometallic. It is black powder which should be avoided contact with skin and eyes. The other registry numbers are 10279-69-3, 12392-58-4 and 34464-60-3.

The other characteristics of this product can be summarized as: (1)H-Bond Donor: 6; (2)H-Bond Acceptor: 27; (3)Rotatable Bond Count: 6; (4)Tautomer Count: 946; (5)Exact Mass: 1486.969119; (6)MonoIsotopic Mass: 1486.969119; (7)Topological Polar Surface Area: 519; (8)Heavy Atom Count: 98; (9)Complexity: 891; (10)Undefined Bond StereoCenter Count: 3; (11)Covalently-Bonded Unit Count: 8.

People can use the following data to convert to the molecule structure. 
1. Smiles: c12c(ccc(c2)[N+](=O)[O-])c(c(O)cc1S(=O)(=O)[O-])\N=N\c1c2c(ccc1O)cccc2.c12c(c(c(O)cc1S(=O)(=O)[O-])\N=N\c1c3c(ccc1O)cccc3)ccc(c2)[N+](=O)[O-].c12c(c(c(O)cc1S(=O)(=O)O)\N=N\c1c3c(ccc1O)cccc3)ccc(c2)[N+](=O)[O-].[Cr].[Cr].[Na+].[Na+];
2. InChI: InChI=1/3C20H13N3O7S.2Cr.2Na/c3*24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;;;;/h3*1-10,24-25H,(H,28,29,30);;;;/q;;;;;2*+1/p-2/b3*22-21+;;;;.  

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