Cas no 34977-63-4 (Benzoic acid, 3(or5)-[2-[4-[2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-2-hydroxy-,sodium salt (1:2))

Benzoic acid, 3(or5)-[2-[4-[2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-2-hydroxy-,sodium salt (1:2) structure
34977-63-4 structure
Product Name:Benzoic acid, 3(or5)-[2-[4-[2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-2-hydroxy-,sodium salt (1:2)
CAS No:34977-63-4
MF:C27H17N5Na2O7S
MW:601.497726202011
CID:305253
PubChem ID:135564609
Update Time:2025-04-19

Benzoic acid, 3(or5)-[2-[4-[2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-2-hydroxy-,sodium salt (1:2) Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3(or5)-[2-[4-[2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-2-hydroxy-,sodium salt (1:2)
    • Benzoic acid, 3(or5)-[2-[4-[2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-1-naphthalen...
    • Benzoic acid, 3(or5)-[2-[4-[2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-2-hydroxy-,sodium
    • disodium 3(or 5)-[[4-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-1-naphthyl]azo]salicylate
    • Direct black 51 (C.I. 27720)
    • NSC 51529
    • 3-[[4-[(7-Amino-1-hydroxy-3-sulfo-2-naphthyl)azo]-1-naphthyl]azo]salicylic acid,sodium salt
    • Direct Black 51 3-salicylate
    • disodium 3-[[4-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-1-naphthyl]azo]salicylate
    • DTXSID50889589
    • EINECS 252-305-5
    • Benzoic acid, 3-(2-(4-(2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-1-naphthalenyl)diazenyl)-2-hydroxy-, sodium salt (1:2)
    • UNII-692I98XDPF
    • 3-((4-((7-AMINO-1-HYDROXY-3-SULFO-2-NAPHTHYL)AZO)-1-NAPHTHYL)AZO)SALICYLIC ACID DISODIUM SALT
    • 3-((4-((7-Amino-1-hydroxy-3-sulfo-2-naphthyl)azo)-1-naphthyl)azo)salicylic acid, disodium salt
    • NS00053915
    • Disodium 3-((4-((7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo)-1-naphthyl)azo)salicylate
    • DIRECT BLACK 51, 3-SALICYLATE-
    • Benzoic acid, 3-[[4-[(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo]-1-naphthalenyl]azo]-2-hydroxy-, disodium salt
    • 692I98XDPF
    • disodium;6-amino-3-[[4-[(3-carboxy-2-hydroxyphenyl)diazenyl]naphthalen-1-yl]diazenyl]-4-oxidonaphthalene-2-sulfonate
    • Q27264305
    • 10330-04-8
    • EINECS 233-719-5
    • 34977-63-4
    • Disodium 3(or 5)-((4-((7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo)-1-naphthyl)azo)salicylate
    • Benzoic acid, 3-((4-((7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-1-naphthalenyl)azo)-2-hydroxy-, disodium salt
    • Disodium 3(or 5)-[[4-[(7-amino-1-hydroxy-3-sulfonato-2-naphthyl)azo]-1-naphthyl]azo]salicylate
    • Benzoic acid, 3-[2-[4-[2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-2-hydroxy-, sodium salt (1:2)
    • Inchi: 1S/C27H19N5O7S.2Na/c28-15-9-8-14-12-23(40(37,38)39)24(26(34)19(14)13-15)32-30-21-11-10-20(16-4-1-2-5-17(16)21)29-31-22-7-3-6-18(25(22)33)27(35)36;;/h1-13,33-34H,28H2,(H,35,36)(H,37,38,39);;/q;2*+1/p-2/b31-29+,32-30+;;
    • InChI Key: QENJECLVTWIZIG-FBYWTXOISA-L
    • SMILES: S(C1C=C2C=CC(=CC2=C(C=1/N=N/C1=CC=C(C2=CC=CC=C21)/N=N/C1C=CC=C(C(=O)O)C=1O)[O-])N)(=O)(=O)[O-].[Na+].[Na+]

Computed Properties

  • Exact Mass: 601.06400
  • Monoisotopic Mass: 601.064
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 4
  • Complexity: 1320
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 215A^2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 221.63000
  • LogP: 6.74680
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