Cas no 29092-13-5 (1,4-Benzenedicarboxylicacid, 2,3,5,6-tetrabromo-, 1-ethyl ester)

1,4-Benzenedicarboxylicacid, 2,3,5,6-tetrabromo-, 1-ethyl ester structure
29092-13-5 structure
Product Name:1,4-Benzenedicarboxylicacid, 2,3,5,6-tetrabromo-, 1-ethyl ester
CAS No:29092-13-5
MF:C10H6Br4O4
MW:509.768240451813
CID:268407
PubChem ID:120128
Update Time:2025-04-19

1,4-Benzenedicarboxylicacid, 2,3,5,6-tetrabromo-, 1-ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzenedicarboxylicacid, 2,3,5,6-tetrabromo-, 1-ethyl ester
    • 2,3,5,6-tetrabromo-4-ethoxycarbonylbenzoic acid
    • 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrabromo-, monoethyl ester
    • 2,3,5,6-tetrabromo-4-(ethoxycarbonyl)benzoic acid
    • Ethyl hydrogen tetrabromoterephthalate
    • Monoethyl tetrabromoterephthalate
    • Terephthalic acid, tetrabromo-, monoethyl ester
    • EINECS 249-422-9
    • HBH842HEK2
    • 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrabromo-, 1-ethyl ester
    • NS00051404
    • 1-Ethyl 2,3,5,6-tetrabromo-1,4-benzenedicarboxylate
    • DTXSID90885444
    • 29092-13-5
    • Inchi: 1S/C10H6Br4O4/c1-2-18-10(17)4-7(13)5(11)3(9(15)16)6(12)8(4)14/h2H2,1H3,(H,15,16)
    • InChI Key: OMUHVEKJVPWWEH-UHFFFAOYSA-N
    • SMILES: BrC1C(=C(C(=O)O)C(=C(C=1C(=O)OCC)Br)Br)Br

Computed Properties

  • Exact Mass: 505.69978
  • Monoisotopic Mass: 505.7
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 322
  • 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: 4.4
  • Topological Polar Surface Area: 63.6?2

Experimental Properties

  • Color/Form: Solid powder
  • Density: 2.305
  • Boiling Point: 472.9°Cat760mmHg
  • Flash Point: 239.8°C
  • Refractive Index: 1.646
  • PSA: 63.6

1,4-Benzenedicarboxylicacid, 2,3,5,6-tetrabromo-, 1-ethyl ester Security Information

  • Signal Word:Warning
  • Storage Condition:Dry, dark and store at 0-4℃ for short term (days to weeks) or -20℃ for long term (Store correctly 2-3years).
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