Cas no 213382-42-4 (Benzaldehyde, 3,6-dibromo-2-nitro-)

Benzaldehyde, 3,6-dibromo-2-nitro- structure
213382-42-4 structure
Product Name:Benzaldehyde, 3,6-dibromo-2-nitro-
CAS No:213382-42-4
MF:C7H3Br2NO3
MW:308.911620378494
CID:6625189
PubChem ID:15366552
Update Time:2024-01-08

Benzaldehyde, 3,6-dibromo-2-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 3,6-dibromo-2-nitro-
    • 213382-42-4
    • SCHEMBL14486448
    • DTXSID801303669
    • 3,6-dibromo-2-nitrobenzaldehyde
    • Inchi: 1S/C7H3Br2NO3/c8-5-1-2-6(9)7(10(12)13)4(5)3-11/h1-3H
    • InChI Key: FQHNRATXGVHKPE-UHFFFAOYSA-N
    • SMILES: C(=O)C1=C(Br)C=CC(Br)=C1[N+]([O-])=O

Computed Properties

  • Exact Mass: 308.84592g/mol
  • Monoisotopic Mass: 306.84797g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 218
  • 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: 2.6
  • Topological Polar Surface Area: 62.9?2

Benzaldehyde, 3,6-dibromo-2-nitro- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide ,  Sulfuric acid ;  3 h, rt
1.2 Reagents: Water ;  cooled
Reference
Reexamination of the Bromination of 2-Nitrobenzaldehyde with NBS or NaBr-NaIO4 in Sulfuric Acid
Cummings, Matthew M.; et al, Synthetic Communications, 2014, 44(7), 954-958

Benzaldehyde, 3,6-dibromo-2-nitro- Raw materials

Benzaldehyde, 3,6-dibromo-2-nitro- Preparation Products

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