Cas no 943528-40-3 (2,4,6-Tribromo-3,5-difluorobenzonitrile)

2,4,6-Tribromo-3,5-difluorobenzonitrile structure
943528-40-3 structure
Product Name:2,4,6-Tribromo-3,5-difluorobenzonitrile
CAS No:943528-40-3
MF:C7Br3F2N
MW:375.790406227112
MDL:MFCD27933955
CID:3025756
PubChem ID:89180678
Update Time:2024-10-25

2,4,6-Tribromo-3,5-difluorobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2,4,6-tribromo-3,5-difluorobenzonitrile
    • 2,4,6-Tribromo-3,5-difluorobenzonitrile (ACI)
    • C7Br3F2N
    • AKOS037645831
    • 943528-40-3
    • AS-63918
    • 2,4,6-TRIBROMO-3,5-DIFLUORO-BENZONITRILE
    • SCHEMBL13826034
    • CS-0159890
    • 3,5-Difluoro-2,4,6-Tribromobenzonitrile
    • 2,4,6-Tribromo-3,5-difluorobenzonitrile
    • MDL: MFCD27933955
    • Inchi: 1S/C7Br3F2N/c8-3-2(1-13)4(9)7(12)5(10)6(3)11
    • InChI Key: AQPZRWDNSAKHNA-UHFFFAOYSA-N
    • SMILES: BrC1C(=C(C(=C(C=1C#N)Br)F)Br)F

Computed Properties

  • Exact Mass: 374.75284g/mol
  • Monoisotopic Mass: 372.75489g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 225
  • 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
  • Topological Polar Surface Area: 23.8
  • XLogP3: 3.9

2,4,6-Tribromo-3,5-difluorobenzonitrile Pricemore >>

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2,4,6-Tribromo-3,5-difluorobenzonitrile Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Carbon tetrabromide ,  Lithium tert-butoxide Solvents: Dimethylformamide ,  m-Xylene ;  2 h, 60 °C
Reference
A simple base-mediated halogenation of acidic sp2 C-H bonds under noncryogenic conditions
Do, Hien-Quang; Daugulis, Olafs, Organic Letters, 2009, 11(2), 421-423

Production Method 2

Reaction Conditions
1.1 Reagents: Carbon tetrabromide ,  Lithium tert-butoxide Solvents: Dimethylformamide ,  m-Xylene ;  2 h, 60 °C
Reference
In Situ Generation and Trapping of Aryllithium and Arylpotassium Species by Halogen, Sulfur, and Carbon Electrophiles
Popov, Ilya; Do, Hien-Quang; Daugulis, Olafs, Journal of Organic Chemistry, 2009, 74(21), 8309-8313

2,4,6-Tribromo-3,5-difluorobenzonitrile Raw materials

2,4,6-Tribromo-3,5-difluorobenzonitrile Preparation Products

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