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Home> Encyclopedia > Hot Product Listed 2   > 2-Naphthalenesulfonicacid,5,5'-[carbonylbis[imino(5-methoxy-2-sulfo-4,1-phenylene)-2,1-diazenediyl]]...
7446-31-3 structure

2-Naphthalenesulfonicacid,5,5'-[carbonylbis[imino(5-methoxy-2-sulfo-4,1-phenylene)-2,1-diazenediyl]]bis[6-amino-4-hydroxy-,sodium salt (1:4)

Iupac Name:zirconium(4+);disulfate;hydrate
CAS No.:7446-31-3
Molecular Weight:355.41000
Molecular Formula:C9H14N2O4S (isomer)
Names and Identifiers
Synonyms

2-Naphthalenesulfonicacid,5,5'-[carbonylbis[imino(5-methoxy-2-sulfo-4,1-phenylene)azo]]bis[6-amino-4-hydroxy-,tetrasodium salt (9CI) C.I. Direct Violet 62 C.I. Direct Violet 62, tetrasodium salt (8CI) c.i.25400 Sirius Supra Red Violet B

Inchi
InChI=1S/2H2O4S.H2O.Zr/c2*1-5(2,3)4;;/h2*(H2,1,2,3,4);1H2;/q;;;+4/p-4
InChkey
UXRMCZYAVOHQNB-UHFFFAOYSA-J
Canonical Smiles
O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Zr+4]
Properties
Density
1.534
Melting Point
410 °C
Boiling Point
378.5°C at 760 mmHg
Flash Point
171.6°C
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S37/39-S26
HazardClass
6.1
Transport
UN 3260 8/PG 3
Computational chemical data
  • Molecular Weight:355.41000g/mol
  • Molecular Formula:C9H14N2O4S
  • Compound Is Canonicalized:True
  • Exact Mass:299.819
  • Monoisotopic Mass:299.819
  • Complexity:62.2
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:9
  • Topological Polar Surface Area:178A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:4
  • CACTVS Substructure Key Fingerprint: AAADcQAAPABgAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAA AAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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