Cas no 106589-18-8 (1,3-Benzenedicarboxylicacid, 2-iodo-, 1,3-dimethyl ester)

1,3-Benzenedicarboxylicacid, 2-iodo-, 1,3-dimethyl ester structure
106589-18-8 structure
Product Name:1,3-Benzenedicarboxylicacid, 2-iodo-, 1,3-dimethyl ester
CAS No:106589-18-8
MF:C10H9IO4
MW:320.080535650253
CID:127231
PubChem ID:14409292
Update Time:2025-04-18

1,3-Benzenedicarboxylicacid, 2-iodo-, 1,3-dimethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzenedicarboxylicacid, 2-iodo-, 1,3-dimethyl ester
    • 2-IODO-ISOPHTHALIC ACID DIMETHYL ESTER
    • dimethyl 2-iodobenzene-1,3-dicarboxylate
    • 2-Iodo Isophthalic acid dimethyl ester
    • 2-Jod-isophthalsaeure-dimethylester
    • ACMC-1C927
    • AG-D-21109
    • AGN-PC-001C8S
    • CTK4A4649
    • Dimethyl 2-iodoisophthalate
    • SureCN2842204
    • RARECHEM FH 10 S163
    • FT-0721214
    • A936835
    • SCHEMBL2842204
    • DTXSID70559954
    • CS-0376369
    • AKOS015967593
    • 106589-18-8
    • Inchi： 1S/C10H9IO4/c1-14-9(12)6-4-3-5-7(8(6)11)10(13)15-2/h3-5H,1-2H3
    • InChI Key： WBLBZWRGFUJZKJ-UHFFFAOYSA-N
    • SMILES： IC1C(C(=O)OC)=CC=CC=1C(=O)OC

Computed Properties

  • Exact Mass: 319.95407
  • Monoisotopic Mass: 319.95456g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 230
  • 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: 2.3
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • Density: 1.708
  • Boiling Point: 321.8°C at 760 mmHg
  • Flash Point: 148.4°C
  • Refractive Index: 1.584
  • PSA: 52.6
  • LogP: 1.86440

1,3-Benzenedicarboxylicacid, 2-iodo-, 1,3-dimethyl ester Related Literature

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