Cas no 854627-73-9 (4-bromo-3-methyl-5-nitrobenzonitrile)

4-Bromo-3-methyl-5-nitrobenzonitrile is a halogenated aromatic nitrile compound with a nitro and methyl substituent, offering versatile reactivity for synthetic applications. Its bromine and nitro groups serve as key functional handles for nucleophilic substitution and reduction reactions, respectively, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The electron-withdrawing nitrile group enhances electrophilic aromatic substitution reactivity, while the methyl group provides steric and electronic modulation. This compound is particularly useful in cross-coupling reactions and heterocycle formation. High purity and consistent quality ensure reliable performance in complex multi-step syntheses, supporting research and industrial-scale production.
4-bromo-3-methyl-5-nitrobenzonitrile structure
854627-73-9 structure
Product Name:4-bromo-3-methyl-5-nitrobenzonitrile
CAS No:854627-73-9
MF:C8H5BrN2O2
MW:241.041500806808
CID:1845780
PubChem ID:66524519
Update Time:2025-05-28

4-bromo-3-methyl-5-nitrobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-3-methyl-5-nitrobenzonitrile
    • CTK2H5157
    • 4-bromo-3-methyl-4-nitro-2-thiolene 1,1-dioxide
    • 4-bromo-3-methyl-4-nitro-4,5-dihydrothiophene-1,1-dione
    • 4-Brom-3-methyl-5-nitro-benzonitril
    • Thiophene, 3-bromo-2,3-dihydro-4-methyl-3-nitro-, 1,1-dioxide
    • 4-bromo-3-methyl-4-nitro-2-thiolene-1,1-dioxide
    • AC1NCU6W
    • 4-bromo-3-methyl-5-nitro-benzonitrile
    • 854627-73-9
    • DB-316358
    • AKOS015967738
    • SCHEMBL22636866
    • AT34598
    • 4-bromo-3-methyl-5-nitrobenzonitrile
    • MDL： MFCD11040676
    • Inchi： 1S/C8H5BrN2O2/c1-5-2-6(4-10)3-7(8(5)9)11(12)13/h2-3H,1H3
    • InChI Key： WPMLWHKJFXJJKS-UHFFFAOYSA-N
    • SMILES： BrC1C(=CC(C#N)=CC=1C)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 239.95344g/mol
  • Monoisotopic Mass: 239.95344g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 255
  • 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: 2.5
  • Topological Polar Surface Area: 69.6?2

4-bromo-3-methyl-5-nitrobenzonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A013024661-250mg
4-Bromo-3-methyl-5-nitrobenzonitrile
 854627-73-9 97%
250mg
 $504.00 2023-08-31
Alichem
A013024661-500mg
4-Bromo-3-methyl-5-nitrobenzonitrile
 854627-73-9 97%
500mg
 $855.75 2023-08-31
Alichem
A013024661-1g
4-Bromo-3-methyl-5-nitrobenzonitrile
 854627-73-9 97%
1g
 $1460.20 2023-08-31

4-bromo-3-methyl-5-nitrobenzonitrile Related Literature

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