Cas no 67229-01-0 (Octadecanedioic acid, 9,10-dibromo-, (R*,R*)- (9CI))

Octadecanedioic acid, 9,10-dibromo-, (R*,R*)- (9CI) structure
67229-01-0 structure
Product Name:Octadecanedioic acid, 9,10-dibromo-, (R*,R*)- (9CI)
CAS No:67229-01-0
MF:C18H32Br2O4
MW:472.252285003662
CID:528860
PubChem ID:300813
Update Time:2025-04-19

Octadecanedioic acid, 9,10-dibromo-, (R*,R*)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Octadecanedioic acid, 9,10-dibromo-, (R*,R*)- (9CI)
    • 9,10-dibromooctadecanedioic acid
    • AC1L6X46
    • NSC176175
    • threo-9,10-Dibrom-hecadecan-dicarbonsaeure
    • NSC-176175
    • 67229-01-0
    • DTXSID90306422
    • Inchi: 1S/C18H32Br2O4/c19-15(11-7-3-1-5-9-13-17(21)22)16(20)12-8-4-2-6-10-14-18(23)24/h15-16H,1-14H2,(H,21,22)(H,23,24)
    • InChI Key: BIDPEIKMNSIVES-UHFFFAOYSA-N
    • SMILES: BrC(CCCCCCCC(=O)O)C(CCCCCCCC(=O)O)Br

Computed Properties

  • Exact Mass: 470.06676
  • Monoisotopic Mass: 470.067
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 17
  • Complexity: 305
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.3
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • Density: 1.38
  • Boiling Point: 555.1°Cat760mmHg
  • Flash Point: 289.5°C
  • Refractive Index: 1.519
  • PSA: 74.6
  • LogP: 6.14400
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