Cas no 10291-27-7 (1,4-Benzenedicarboxylicacid, 2,5-bis[(2-chlorophenyl)amino]-)

1,4-Benzenedicarboxylicacid, 2,5-bis[(2-chlorophenyl)amino]- structure
10291-27-7 structure
Product Name:1,4-Benzenedicarboxylicacid, 2,5-bis[(2-chlorophenyl)amino]-
CAS No:10291-27-7
MF:C20H14Cl2N2O4
MW:417.242163181305
CID:148333
PubChem ID:82523
Update Time:2025-04-19

1,4-Benzenedicarboxylicacid, 2,5-bis[(2-chlorophenyl)amino]- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzenedicarboxylicacid, 2,5-bis[(2-chlorophenyl)amino]-
    • 2,5-bis(2-chloroanilino)terephthalic acid
    • 1,4-Benzenedicarboxylic acid, 2,5-bis((2-chlorophenyl)amino)-
    • 2,5-Bis(o-chloroanilino)terephthalic acid
    • 2,5-bis[(2-chlorophenyl)amino]benzene-1,4-dicarboxylic acid
    • Terephthalic acid, 2,5-di-(o-chloroanilino)-
    • Einecs 233-650-0
    • 2,5-Di(2-chloroanilino)-1,4-benzenedicarboxylic acid
    • LASWYZAZWDFPSC-UHFFFAOYSA-N
    • NS00023192
    • 2,5-Bis[o-chloroanilino]terephthalic acid
    • 2,5-di(2-chloro-anilino)terephthalic acid
    • SCHEMBL6558595
    • 2,5-bis-(2-Chloroanilino)terephthalic acid
    • 10291-27-7
    • DTXSID9065023
    • Inchi: 1S/C20H14Cl2N2O4/c21-13-5-1-3-7-15(13)23-17-9-12(20(27)28)18(10-11(17)19(25)26)24-16-8-4-2-6-14(16)22/h1-10,23-24H,(H,25,26)(H,27,28)
    • InChI Key: LASWYZAZWDFPSC-UHFFFAOYSA-N
    • SMILES: ClC1C=CC=CC=1NC1C=C(C(=O)O)C(=CC=1C(=O)O)NC1C=CC=CC=1Cl

Computed Properties

  • Exact Mass: 416.03322
  • Monoisotopic Mass: 416.033
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 6
  • Complexity: 516
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 98.7A^2
  • XLogP3: 6.4

Experimental Properties

  • Density: 1.542
  • Boiling Point: 561.7°Cat760mmHg
  • Flash Point: 293.5°C
  • Refractive Index: 1.736
  • PSA: 98.66
  • LogP: 6.02300
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