Cas no 216658-62-7 (1-(bromomethyl)-3-ethylbenzene)

1-(bromomethyl)-3-ethylbenzene structure
216658-62-7 structure
Product Name:1-(bromomethyl)-3-ethylbenzene
CAS No:216658-62-7
MF:C9H11Br
MW:199.087641954422
CID:1006537
PubChem ID:22003656
Update Time:2025-04-20

1-(bromomethyl)-3-ethylbenzene Chemical and Physical Properties

Names and Identifiers

    • 1-(bromomethyl)-3-ethylbenzene
    • 3-ethyl-benzyl bromide
    • SCHEMBL1403956
    • 1-bromomethyl-3-ethylbenzene
    • F85823
    • DB-315417
    • HNUZAFPGSNEQDM-UHFFFAOYSA-N
    • 216658-62-7
    • EN300-173220
    • MDL: MFCD09999853
    • Inchi: 1S/C9H11Br/c1-2-8-4-3-5-9(6-8)7-10/h3-6H,2,7H2,1H3
    • InChI Key: HNUZAFPGSNEQDM-UHFFFAOYSA-N
    • SMILES: BrCC1=CC=CC(=C1)CC

Computed Properties

  • Exact Mass: 198.00441g/mol
  • Monoisotopic Mass: 198.00441g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 90.7
  • 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: 3.3
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 1.3±0.0 g/cm3
  • Boiling Point: 228.5±0.0 °C at 760 mmHg
  • Flash Point: 96.6±0.0 °C
  • Vapor Pressure: 0.1±0.0 mmHg at 25°C

1-(bromomethyl)-3-ethylbenzene Security Information

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