Cas no 1031929-10-8 (1-bromo-3-(bromomethyl)-5-(trifluoromethoxy)benzene)

1-bromo-3-(bromomethyl)-5-(trifluoromethoxy)benzene structure
1031929-10-8 structure
Product Name:1-bromo-3-(bromomethyl)-5-(trifluoromethoxy)benzene
CAS No:1031929-10-8
MF:C8H5Br2F3O
MW:333.927911520004
MDL:MFCD11035864
CID:4554444
PubChem ID:26985713
Update Time:2024-11-04

1-bromo-3-(bromomethyl)-5-(trifluoromethoxy)benzene Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-5-(trifluoromethoxy)benzyl bromide
    • 1-bromo-3-(bromomethyl)-5-(trifluoromethoxy)benzene
    • CL9686
    • 3-Bromo-5-(trifluoromethoxy)benzylbromide
    • SCHEMBL22090574
    • 1031929-10-8
    • QYRNFJCHQHPVTI-UHFFFAOYSA-N
    • MFCD11035864
    • AS-46457
    • EN300-8671444
    • AKOS005258909
    • MDL： MFCD11035864
    • Inchi： 1S/C8H5Br2F3O/c9-4-5-1-6(10)3-7(2-5)14-8(11,12)13/h1-3H,4H2
    • InChI Key： QYRNFJCHQHPVTI-UHFFFAOYSA-N
    • SMILES： BrC1C=C(C=C(CBr)C=1)OC(F)(F)F

Computed Properties

  • Exact Mass: 333.86388g/mol
  • Monoisotopic Mass: 331.86592g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 186
  • 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: 4.4
  • Topological Polar Surface Area: 9.2

Experimental Properties

  • Density: 1.9±0.1 g/cm3
  • Boiling Point: 257.6±35.0 °C at 760 mmHg
  • Flash Point: 134.3±10.2 °C
  • Refractive Index: 1.5185
  • Sensitiveness: Lachrymatory
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

1-bromo-3-(bromomethyl)-5-(trifluoromethoxy)benzene Security Information

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