Cas no 106215-23-0 (2-Propanol,1,1',1''-[methylidynetris(phenyleneoxy)]tris[3-chloro-)

2-Propanol,1,1',1''-[methylidynetris(phenyleneoxy)]tris[3-chloro- structure
106215-23-0 structure
Product Name:2-Propanol,1,1',1''-[methylidynetris(phenyleneoxy)]tris[3-chloro-
CAS No:106215-23-0
MF:C28H31Cl3O6
MW:569.901146173477
CID:150042
PubChem ID:69982310
Update Time:2025-04-19

2-Propanol,1,1',1''-[methylidynetris(phenyleneoxy)]tris[3-chloro- Chemical and Physical Properties

Names and Identifiers

    • 2-Propanol,1,1',1''-[methylidynetris(phenyleneoxy)]tris[3-chloro-
    • 1-[2-[bis[2-(3-chloro-2-hydroxypropoxy)phenyl]methyl]phenoxy]-3-chloropropan-2-ol
    • 1,1',1''-<wbr>
    • 2-propano<wbr>
    • LogP
    • 106215-23-0
    • DTXSID60888826
    • 2-Propanol, 1,1',1''-[methylidynetris(phenyleneoxy)]tris[3-chloro-
    • SCHEMBL7082820
    • Inchi: 1S/C28H31Cl3O6/c29-13-22(32)16-35-25-7-1-19(2-8-25)28(20-3-9-26(10-4-20)36-17-23(33)14-30)21-5-11-27(12-6-21)37-18-24(34)15-31/h1-12,22-24,28,32-34H,13-18H2
    • InChI Key: BMCHNXZMPHBFCY-UHFFFAOYSA-N
    • SMILES: ClCC(COC1C=CC(=CC=1)C(C1C=CC(=CC=1)OCC(CCl)O)C1C=CC(=CC=1)OCC(CCl)O)O

Computed Properties

  • Exact Mass: 568.11883
  • Monoisotopic Mass: 568.118622g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 15
  • Complexity: 512
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.1
  • Topological Polar Surface Area: 88.4?2

Experimental Properties

  • Density: 1.32
  • Boiling Point: 758.2°C at 760 mmHg
  • Flash Point: 412.4°C
  • Refractive Index: 1.596
  • PSA: 88.38
  • LogP: 4.80230
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