Cas no 99468-72-1 (3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline)

3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline structure
99468-72-1 structure
Product Name:3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline
CAS No:99468-72-1
MF:C10H6BrF6NO
MW:350.055162906647
MDL:MFCD00662315
CID:1075462
PubChem ID:188541
Update Time:2025-04-20

3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline Chemical and Physical Properties

Names and Identifiers

    • 3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline
    • N-(3,5-Bis(trifluoromethyl)phenyl)-2-bromo-acetamide
    • DCCKYVKUIKRMPU-UHFFFAOYSA-N
    • N-[3,5-bis(trifluoromethyl)phenyl]-2-bromoacetamide
    • AKOS015852902
    • DTXSID20912696
    • 99468-72-1
    • N-[3,5-Bis(trifluoromethyl)phenyl]-2-bromoethanimidic acid
    • N-(3,5-Bis(trifluoromethyl)phenyl)-2-bromoacetamide
    • CS-0318945
    • MFCD00662315
    • SCHEMBL10750113
    • 3',5'-Bis(trifluoromethyl)-2-bromoacetanilide
    • MDL: MFCD00662315
    • Inchi: 1S/C10H6BrF6NO/c11-4-8(19)18-7-2-5(9(12,13)14)1-6(3-7)10(15,16)17/h1-3H,4H2,(H,18,19)
    • InChI Key: DCCKYVKUIKRMPU-UHFFFAOYSA-N
    • SMILES: BrCC(NC1C=C(C(F)(F)F)C=C(C(F)(F)F)C=1)=O

Computed Properties

  • Exact Mass: 348.953696
  • Monoisotopic Mass: 348.953696
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 307
  • 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: 4.5
  • Topological Polar Surface Area: 29.1

Experimental Properties

  • Density: 1.726
  • Melting Point: 100-101
  • Boiling Point: 308.9°C at 760 mmHg
  • Flash Point: 140.6°C
  • Refractive Index: 1.486

3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline Pricemore >>

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