Cas no 28294-55-5 (1,4-Benzenedicarboxylicacid, 2,5-bis[(3-chlorophenyl)amino]-)

1,4-Benzenedicarboxylicacid, 2,5-bis[(3-chlorophenyl)amino]- structure
28294-55-5 structure
Product Name:1,4-Benzenedicarboxylicacid, 2,5-bis[(3-chlorophenyl)amino]-
CAS No:28294-55-5
MF:C20H14Cl2N2O4
MW:417.242163181305
CID:265546
PubChem ID:119916
Update Time:2025-04-19

1,4-Benzenedicarboxylicacid, 2,5-bis[(3-chlorophenyl)amino]- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzenedicarboxylicacid, 2,5-bis[(3-chlorophenyl)amino]-
    • 2,5-bis(3-chloroanilino)terephthalic acid
    • 1,4-Benzenedicarboxylic acid, 2,5-bis((3-chlorophenyl)amino)-
    • 2,5-Bis(3-chlorophenylamino)terephthalic acid
    • 2,5-Bis(m-chloroanilino)terephthalic acid
    • 2,5-bis[(3-chlorophenyl)amino]benzene-1,4-dicarboxylic acid
    • Terephthalic acid, 2,5-bis(m-chloroanilino)-
    • 2,5di(3-chloroanilino) terephthalic acid
    • W-110722
    • NS00028453
    • EINECS 248-943-9
    • JCHNWGHDRJBSRH-UHFFFAOYSA-N
    • 2,5-di(3-chloro-anilino)terephthalic acid
    • 2,5-di(3-chloroanilino) terephthalic acid
    • SCHEMBL5592996
    • 28294-55-5
    • 2,5-di(3-chloroanilino)terephthalic acid
    • DTXSID7067374
    • 2,5-Bis[m-chloroanilino]terephthalic acid
    • Inchi: 1S/C20H14Cl2N2O4/c21-11-3-1-5-13(7-11)23-17-9-16(20(27)28)18(10-15(17)19(25)26)24-14-6-2-4-12(22)8-14/h1-10,23-24H,(H,25,26)(H,27,28)
    • InChI Key: JCHNWGHDRJBSRH-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC(=C1)NC1C=C(C(=O)O)C(=CC=1C(=O)O)NC1C=CC=C(C=1)Cl

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
  • XLogP3: 7.8
  • Topological Polar Surface Area: 98.7?2

Experimental Properties

  • Density: 1.542
  • Boiling Point: 588.1°Cat760mmHg
  • Flash Point: 309.5°C
  • Refractive Index: 1.736
  • PSA: 98.66
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