Cas no 37865-98-8 (1,3-Dioxolane,2-(5-bromopentyl)-2-methyl-)

1,3-Dioxolane,2-(5-bromopentyl)-2-methyl- structure
37865-98-8 structure
Product Name:1,3-Dioxolane,2-(5-bromopentyl)-2-methyl-
CAS No:37865-98-8
MF:C9H17BrO2
MW:237.134082555771
CID:323354
PubChem ID:300420
Update Time:2025-04-19

1,3-Dioxolane,2-(5-bromopentyl)-2-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dioxolane,2-(5-bromopentyl)-2-methyl-
    • 2-(5-bromopentyl)-2-methyl-1,3-dioxolane
    • 2-(5-bromopentyl)-2-methyl-[1,3]dioxolane
    • 2-(5-Bromo-pentyl)-2-methyl-1,3-dioxolan
    • AC1L6WAH
    • NSC174801
    • SureCN9864184
    • NSC-174801
    • 37865-98-8
    • DTXSID30306264
    • SCHEMBL9864184
    • Inchi: 1S/C9H17BrO2/c1-9(11-7-8-12-9)5-3-2-4-6-10/h2-8H2,1H3
    • InChI Key: FHEUISZIWALAQM-UHFFFAOYSA-N
    • SMILES: BrCCCCCC1(C)OCCO1

Computed Properties

  • Exact Mass: 236.04121
  • Monoisotopic Mass: 236.041
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 122
  • 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: 2.2
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • Density: 1.251
  • Boiling Point: 259.9°C at 760 mmHg
  • Flash Point: 108.1°C
  • Refractive Index: 1.467
  • PSA: 18.46
  • LogP: 2.70470

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