Cas no 1000575-08-5 (2,6-Dibromo-4-(difluoromethoxy)aniline)

2,6-Dibromo-4-(difluoromethoxy)aniline structure
1000575-08-5 structure
Product Name:2,6-Dibromo-4-(difluoromethoxy)aniline
CAS No:1000575-08-5
MF:C7H5Br2F2NO
MW:316.925507307053
CID:3157801
PubChem ID:26599240
Update Time:2024-11-04

2,6-Dibromo-4-(difluoromethoxy)aniline Chemical and Physical Properties

Names and Identifiers

    • 2,6-Dibromo-4-(difluoromethoxy)aniline
    • SCHEMBL20680980
    • AKOS027365480
    • FS-4809
    • SB85453
    • D77119
    • CS-0112695
    • 1000575-08-5
    • KVGNGDQPCSCJCK-UHFFFAOYSA-N
    • MDL： MFCD09878211
    • Inchi： 1S/C7H5Br2F2NO/c8-4-1-3(13-7(10)11)2-5(9)6(4)12/h1-2,7H,12H2
    • InChI Key： KVGNGDQPCSCJCK-UHFFFAOYSA-N
    • SMILES： BrC1C=C(C=C(C=1N)Br)OC(F)F

Computed Properties

  • Exact Mass: 316.86855g/mol
  • Monoisotopic Mass: 314.87060g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 161
  • 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: 3.5
  • Topological Polar Surface Area: 35.2?2

Experimental Properties

  • Density: 2.0±0.1 g/cm3
  • Boiling Point: 289.3±35.0 °C at 760 mmHg
  • Flash Point: 128.8±25.9 °C
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

2,6-Dibromo-4-(difluoromethoxy)aniline Security Information

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