Cas no 1807057-95-9 (1-(2-Bromo-6-cyanophenyl)propan-2-one)

1-(2-Bromo-6-cyanophenyl)propan-2-one is a brominated and cyanated aromatic ketone with potential utility as an intermediate in organic synthesis. Its structure, featuring both bromine and cyano substituents on the phenyl ring, offers versatility for further functionalization, making it valuable in pharmaceutical and agrochemical research. The bromine atom facilitates cross-coupling reactions, while the cyano group can be transformed into carboxylic acids, amides, or other derivatives. The propan-2-one moiety provides a reactive carbonyl site for condensation or reduction reactions. This compound is particularly useful in constructing complex molecular frameworks due to its bifunctional reactivity and stability under standard handling conditions.
1-(2-Bromo-6-cyanophenyl)propan-2-one structure
1807057-95-9 structure
Product Name:1-(2-Bromo-6-cyanophenyl)propan-2-one
CAS No:1807057-95-9
MF:C10H8BrNO
MW:238.08062171936
CID:4977363
Update Time:2025-06-06

1-(2-Bromo-6-cyanophenyl)propan-2-one Chemical and Physical Properties

Names and Identifiers

    • 1-(2-Bromo-6-cyanophenyl)propan-2-one
    • Inchi: 1S/C10H8BrNO/c1-7(13)5-9-8(6-12)3-2-4-10(9)11/h2-4H,5H2,1H3
    • InChI Key: WXRZYBCUPLCAOE-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(C#N)=C1CC(C)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 243
  • XLogP3: 2
  • Topological Polar Surface Area: 40.9

1-(2-Bromo-6-cyanophenyl)propan-2-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A013016402-250mg
1-(2-Bromo-6-cyanophenyl)propan-2-one
1807057-95-9 97%
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484.80 USD 2021-06-25
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A013016402-500mg
1-(2-Bromo-6-cyanophenyl)propan-2-one
1807057-95-9 97%
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A013016402-1g
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