Cas no 7510-54-5 (benzene-1,3,5-triyl tribenzoate)

benzene-1,3,5-triyl tribenzoate structure
7510-54-5 structure
Product Name:benzene-1,3,5-triyl tribenzoate
CAS No:7510-54-5
MF:C27H18O6
MW:438.428227901459
CID:981409
PubChem ID:347187
Update Time:2025-04-19

benzene-1,3,5-triyl tribenzoate Chemical and Physical Properties

Names and Identifiers

    • benzene-1,3,5-triyl tribenzoate
    • (3,5-dibenzoyloxyphenyl) benzoate
    • 1,3,5-Tribenzoyloxybenzene
    • 1,3,5-tris-benzoyloxy-benzene
    • 1,3,5-Tris-benzoyloxy-benzol
    • AC1L86PH
    • CBDivE_014930
    • CTK2I0076
    • NSC405701
    • Oprea1_598412
    • phenyl 1,3,5-tribenzoate
    • phloroglucin tribenzoate
    • phloroglucinol tribenzoate
    • Phloroglucin-tribenzoat
    • SureCN2755026
    • DTXSID40324095
    • 3,5-bis(benzoyloxy)phenyl benzoate
    • AKOS003646084
    • 7510-54-5
    • SCHEMBL2755026
    • NSC-405701
    • STK388744
    • Inchi: 1S/C27H18O6/c28-25(19-10-4-1-5-11-19)31-22-16-23(32-26(29)20-12-6-2-7-13-20)18-24(17-22)33-27(30)21-14-8-3-9-15-21/h1-18H
    • InChI Key: JBAFJMXGERTTCC-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC=CC=1)=O)C1C=C(C=C(C=1)OC(C1C=CC=CC=1)=O)OC(C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 438.11034
  • Monoisotopic Mass: 438.11
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 9
  • Complexity: 555
  • 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: 6.2
  • Topological Polar Surface Area: 78.9?2

Experimental Properties

  • Density: 1.29
  • Boiling Point: 608.7°C at 760 mmHg
  • Flash Point: 262.6°C
  • Refractive Index: 1.632
  • PSA: 78.9
  • LogP: 5.34420
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