Cas no 3071-71-4 (Direct Black 103)

Direct Black 103 structure
Direct Black 103 structure
Product Name:Direct Black 103
CAS No:3071-71-4
MF:C40H23N7Na4O13S4
MW:1029.86880707741
CID:321170
Update Time:2023-11-19

Direct Black 103 Chemical and Physical Properties

Names and Identifiers

    • 1,5-Naphthalenedisulfonicacid,3-[2-[4-[2-[4-[2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-1-naphthalenyl]diazenyl]-,sodium salt (1:4)
    • 1,5-Naphthalenedisulfonicacid,3-[2-[4-[2-[4-[2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-6-sulfo-1-naphthalenyl]dia
    • Direct Fast Grey 2BL
    • Diazol Light Grey 4B
    • direct black 103
    • C.I.34179
    • CID 101690392
    • C.I.Direct Black 103
    • 3-[[4-[[4-[(7-Amino-1-hydroxy-3-sodiosulfo-2-naphthalenyl)azo]-6-sodiosulfo-1-naphthalenyl]azo]-1-naphthalenyl]azo]naphthalene-1,5-disulfonic acid disodium salt
    • 1, 5-Naphthalenedisulfonic acid, 3-[[4-[[4-[(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)-azo]-6-sulfo-1-naphthalenyl]azo]-1-naphthalenyl]azo], tetrasodium salt
    • Direct Fast Black 2B
    • Direct Fast Grey L
    • Direct Grey Light Fast
    • Direct Black 103
    • Inchi: 1S/C40H27N7O13S4.4Na/c41-22-9-8-21-16-38(64(58,59)60)39(40(48)29(21)17-22)47-46-35-15-14-34(27-11-10-24(20-30(27)35)61(49,50)51)45-44-33-13-12-32(25-4-1-2-5-26(25)33)43-42-23-18-31-28(37(19-23)63(55,56)57)6-3-7-36(31)62(52,53)54;;;;/h1-20,48H,41H2,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;/q;4*+1/p-4/b43-42+,45-44+,47-46+;;;;
    • InChI Key: HLEDAFCMZNLLFP-PSDAWCJYSA-J
    • 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)[O-])(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Computed Properties

  • Exact Mass: 1028.983
  • Monoisotopic Mass: 1028.983
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 20
  • Heavy Atom Count: 68
  • Rotatable Bond Count: 7
  • Complexity: 2170
  • Covalently-Bonded Unit Count: 5
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 383
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