Cas no 16324-27-9 (Fluorescent Brightener 251)

Fluorescent Brightener 251 structure
Fluorescent Brightener 251 structure
Product Name:Fluorescent Brightener 251
CAS No:16324-27-9
MF:C36H32N12Na4O14S4
MW:1076.93036460876
CID:50390
PubChem ID:14366579
Update Time:2025-04-18

Fluorescent Brightener 251 Chemical and Physical Properties

Names and Identifiers

    • Fluorescent Brightener 251
    • C.I. 406233
    • C.I. Fluorescent Brightener 114
    • 4,4'-Bis[[4-[(2-hydroxyethyl)amino]-6-(m-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2,2'-stilbenedisulfonic acid tetrasodium salt
    • tetrasodium,5-[[4-(2-hydroxyethylamino)-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesul
    • 2,2'-(1,2-Ethenediyl)bis(5-(4-((2-hydroxyethyl)amino)-6-((m-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)benzenesulfonic acid, tetrasodium salt
    • 2,2'-Stilb
    • 4,4'-Bis((4-((2-hydroxyethyl)amino)-6-(m-sulfoanilino)-s-triazin-2-yl)amino)-2,2'-stilbenedisulfonic acid tetrasodium salt
    • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((2-hydroxyethyl)amino)-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:4)
    • Wobital BBK
    • EINECS 301-083-9
    • 4,4'-Bis((4-((2-hydroxyethyl)amino)-6-(m-sulphoanilino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, sodium salt
    • W-110428
    • Tetrasodium 4,4'-bis[[4-[(2-hydroxyethyl)amino]-6-(m-sulphonatoanilino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate
    • 4,4-Bis[[4-[(2-hydroxyethyl)amino]-6-(m-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2,2-stilbenedisulfonicacidtetrasodiumsalt
    • DTXSID30240078
    • 16324-27-9
    • 93981-02-3
    • 4,4'-bis4-(2-hydroxyethyl)amino-6-(m-sulphonatoanilino)-1,3,5-triazin-2-ylaminostilbene-2,2'-disulphonate (sodium salt)
    • Inchi： 1S/C36H36N12O14S4.4Na/c49-15-13-37-31-43-33(39-23-3-1-5-27(17-23)63(51,52)53)47-35(45-31)41-25-11-9-21(29(19-25)65(57,58)59)7-8-22-10-12-26(20-30(22)66(60,61)62)42-36-46-32(38-14-16-50)44-34(48-36)40-24-4-2-6-28(18-24)64(54,55)56;;;;/h1-12,17-20,49-50H,13-16H2,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48);;;;/q;4*+1/p-4/b8-7+;;;;
    • InChI Key： HECFMGCMMKUMIN-YZNHWISSSA-J
    • SMILES： S(C1C=C(C=CC=1/C=C/C1C=CC(=CC=1S(=O)(=O)[O-])NC1N=C(N=C(NC2C=CC=C(C=2)S(=O)(=O)[O-])N=1)NCCO)NC1N=C(N=C(NC2C=CC=C(C=2)S(=O)(=O)[O-])N=1)NCCO)(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Computed Properties

  • Exact Mass: 1076.06000
  • Monoisotopic Mass: 1080.094755
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 26
  • Heavy Atom Count: 70
  • Rotatable Bond Count: 14
  • Complexity: 1880
  • Covalently-Bonded Unit Count: 5
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 441

Experimental Properties

  • PSA: 452.30000
  • LogP: 6.38740

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