Cas no 101258-57-5 (Hexane,1-bromo-2-methyl-)

Hexane,1-bromo-2-methyl- structure
Hexane,1-bromo-2-methyl- structure
Product Name:Hexane,1-bromo-2-methyl-
CAS No:101258-57-5
MF:C7H15Br
MW:179.098001718521
CID:124590
PubChem ID:11745204
Update Time:2025-04-18

Hexane,1-bromo-2-methyl- Chemical and Physical Properties

Names and Identifiers

    • Hexane,1-bromo-2-methyl-
    • 1-BROMO-2-METHYLHEXANE
    • 1-Brom-2-methyl-hexan
    • 1-bromo-2-methyl-hexane
    • 2-METHYL-1-BROMOHEXANE
    • 101258-57-5
    • AKOS006276309
    • SCHEMBL1965699
    • FT-0690981
    • EN300-674039
    • Hexane, 1-bromo-2-methyl-
    • Inchi: 1S/C7H15Br/c1-3-4-5-7(2)6-8/h7H,3-6H2,1-2H3
    • InChI Key: CKHQKWRHPZIGTM-UHFFFAOYSA-N
    • SMILES: BrCC(C)CCCC

Computed Properties

  • Exact Mass: 178.03600
  • Monoisotopic Mass: 178.03571g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 4
  • Complexity: 43.7
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.8
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 1.1337 (estimate)
  • Boiling Point: 170.18°C (estimate)
  • Refractive Index: 1.4339 (estimate)
  • PSA: 0.00000
  • LogP: 3.20760

Hexane,1-bromo-2-methyl- Pricemore >>

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