Cas no 2679-49-4 (Direct black 75 (C.I. 35870))

Direct black 75 (C.I. 35870) structure
Direct black 75 (C.I. 35870) structure
Product Name:Direct black 75 (C.I. 35870)
CAS No:2679-49-4
MF:C50H27N8Na5O17S5
MW:1287.06663918495
CID:276745
Update Time:2023-11-19

Direct black 75 (C.I. 35870) Chemical and Physical Properties

Names and Identifiers

    • 1,5-Naphthalenedisulfonicacid,3-[2-[4-[2-[4-[2-[1-hydroxy-7-[2-(2-hydroxy-6-sulfo-1-naphthalenyl)diazenyl]-3-sulfo-2-naphthalenyl]diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-1-naphthalenyl]diazenyl]-,sodium salt (1:5)
    • 1,5-Naphthalenedisulfonicacid,3-[2-[4-[2-[4-[2-[1-hydroxy-7-[2-(2-hydroxy-6-sulfo-1-naphthalenyl)diazenyl]-3-sulfo-2-naphthal
    • 1,5-Naphthalenedisulfonicacid,3-[2-[4-[2-[4-[2-[1-hydroxy-7-[2-(2-hydroxy-6-sulfo-1-naphthalenyl)diazenyl]-3-sulfo-2-naphthalenyl]diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-1-naphthalenyl]diazenyl]-,s
    • 1,5-Naphthalenedisulfonicacid,3-[[4-[[4-[[1-hydroxy-7-[(2-hydroxy-6-sulfo-1-naphthalenyl)azo]-3-sulfo-2-naphthalenyl]azo]-6-sulfo-1-naphthalenyl]azo]-1-naphthalenyl]azo]-,pentasodium salt (9CI)
    • C.I. 35870
    • C.I. Direct Black 75 (7CI)
    • C.I. Direct Black 75,pentasodium salt (8CI)
    • Dialuminous Grey R
    • Fastusol Grey LRA-CF
    • Fenaluz Grey R
    • Sirius Light Grey R
    • Sirius Supra Grey R
    • Solius Light Grey R
    • Sumilight Supra Grey R
    • Tetram
    • C.I.35870
    • CID 101697999
    • Direct black 75 (C.I. 35870)
    • 3-[[4-[[4-[[1-Hydroxy-7-[(2-hydroxy-6-sodiosulfo-1-naphthalenyl)azo]-3-sodiosulfo-2-naphthalenyl]azo]-6-sodiosulfo-1-naphthalenyl]azo]-1-naphthalenyl]azo]naphthalene-1,5-disulfonic acid disodium salt
    • C.I.Direct Black 75
    • Direct Black 75
    • C.I.Direct Black 75:C.I.35870
    • Inchi： 1S/C50H32N8O17S5.5Na/c59-44-19-9-26-20-30(76(61,62)63)11-13-32(26)48(44)57-51-28-10-8-27-21-47(80(73,74)75)49(50(60)37(27)22-28)58-56-43-18-17-42(35-14-12-31(25-38(35)43)77(64,65)66)55-54-41-16-15-40(33-4-1-2-5-34(33)41)53-52-29-23-39-36(46(24-29)79(70,71)72)6-3-7-45(39)78(67,68)69;;;;;/h1-25,59-60H,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75);;;;;/q;5*+1/p-5/b53-52+,55-54+,57-51+,58-56+;;;;;
    • InChI Key： FLOUWGDMSMWHTL-MAZDEWDRSA-I
    • SMILES： S(C1C=C(C=C2C(=CC=CC2=1)S(=O)(=O)[O-])/N=N/C1=CC=C(C2C=CC=CC=21)/N=N/C1=CC=C(C2=CC(=CC=C21)S(=O)(=O)[O-])/N=N/C1C(=C2C=C(C=CC2=CC=1S(=O)(=O)O)/N=N/C1=C(C=CC2=CC(=CC=C21)S(=O)(=O)[O-])[O-])[O-])(=O)(=O)O.[Na+].[Na+].[Na+].[Na+].[Na+]

Computed Properties

  • Exact Mass: 1285.959
  • Monoisotopic Mass: 1285.959
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 25
  • Heavy Atom Count: 85
  • Rotatable Bond Count: 10
  • Complexity: 2870
  • Covalently-Bonded Unit Count: 6
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 467

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