Cas no 3841-15-4 (Benzoic acid,5-[2-[4-[2-[4-[2-(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-2-hydroxy-,sodium salt (1:3))

Benzoic acid,5-[2-[4-[2-[4-[2-(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-2-hydroxy-,sodium salt (1:3) structure
3841-15-4 structure
Product Name:Benzoic acid,5-[2-[4-[2-[4-[2-(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-2-hydroxy-,sodium salt (1:3)
CAS No:3841-15-4
MF:C37H22N7Na3O10S2
MW:857.710797786713
CID:309129
PubChem ID:19693
Update Time:2025-04-19

Benzoic acid,5-[2-[4-[2-[4-[2-(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-2-hydroxy-,sodium salt (1:3) Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,5-[2-[4-[2-[4-[2-(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-2-hydroxy-,sodium salt (1:3)
    • Benzoic acid,5-[2-[4-[2-[4-[2-(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-6-sulfo-1-naphthal
    • trisodium (3Z)-3-(2-{4-[(E)-{4-[(2E)-2-(6-amino-1-oxo-3-sulfonatonaphthalen-2(1H)-ylidene)hydrazinyl]naphthalen-1-yl}diazenyl]-6-sulfonatonaphthalen-1-yl}hydrazinylidene)-6-oxocyclohexa-1,4-diene-1-carboxylate
    • Trisodium 5-((4-((4-((6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo)-1-naphthyl)azo)-6-sulphonato-1-naphthyl)azo)salicylate
    • 3841-15-4
    • EINECS 223-334-0
    • Direct Blue 148, trisodium salt
    • NS00044896
    • C.I. DIRECT BLUE 148, TRISODIUM SALT
    • Inchi: 1S/C37H25N7O10S2.3Na/c38-20-5-8-23-19(15-20)16-34(56(52,53)54)35(36(23)46)44-43-30-11-10-29(24-3-1-2-4-25(24)30)41-42-32-13-12-31(26-9-7-22(18-27(26)32)55(49,50)51)40-39-21-6-14-33(45)28(17-21)37(47)48;;;/h1-18,45-46H,38H2,(H,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3/b40-39+,42-41+,44-43+;;;
    • InChI Key: PTELSJWAVIWPMR-CLSIINNZSA-K
    • SMILES: S(C1C=C2C=C(C=CC2=C(C=1/N=N/C1=CC=C(C2C=CC=CC=21)/N=N/C1=CC=C(C2=CC=C(C=C21)S(=O)(=O)[O-])/N=N/C1C=CC(=C(C(=O)[O-])C=1)O)O)N)(=O)(=O)[O-].[Na+].[Na+].[Na+]

Computed Properties

  • Exact Mass: 857.05656
  • Monoisotopic Mass: 857.056265
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 17
  • Heavy Atom Count: 59
  • Rotatable Bond Count: 6
  • Complexity: 1970
  • Covalently-Bonded Unit Count: 4
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 305

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 288.19
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