Cas no 456-43-9 (BENZENE, 1-BROMO-3-(FLUOROMETHYL)-)

Benzene, 1-bromo-3-(fluoromethyl)-, is a halogenated aromatic compound featuring both bromine and fluoromethyl functional groups. This structure imparts unique reactivity, making it valuable in synthetic organic chemistry, particularly in cross-coupling reactions and nucleophilic substitutions. The presence of bromine enhances its utility as an electrophilic intermediate, while the fluoromethyl group introduces potential for further functionalization or applications in fluorinated compound synthesis. Its stability and well-defined reactivity profile make it suitable for pharmaceutical and agrochemical research, where precise structural modifications are required. The compound is typically handled under controlled conditions due to its halogenated nature, ensuring safe and efficient use in laboratory settings.
BENZENE, 1-BROMO-3-(FLUOROMETHYL)- structure
456-43-9 structure
Product Name:BENZENE, 1-BROMO-3-(FLUOROMETHYL)-
CAS No:456-43-9
MF:C7H6BrF
MW:189.024944782257
CID:3373230
PubChem ID:12844396
Update Time:2025-09-26

BENZENE, 1-BROMO-3-(FLUOROMETHYL)- Chemical and Physical Properties

Names and Identifiers

    • BENZENE, 1-BROMO-3-(FLUOROMETHYL)-
    • 456-43-9
    • 3-bromobenzyl fluoride
    • DTXCID101734108
    • G47501
    • 3-Bromobenzal fluoride
    • PS-11884
    • 828-888-2
    • SCHEMBL6663037
    • DTXSID601304085
    • MFCD25963568
    • AKOS024064533
    • 3-(fluoromethyl)phenyl bromide
    • 1-bromo-3-(fluoromethyl)benzene
    • EN300-6194085
    • Inchi： 1S/C7H6BrF/c8-7-3-1-2-6(4-7)5-9/h1-4H,5H2
    • InChI Key： MHHSSQKXFRACNN-UHFFFAOYSA-N
    • SMILES： BrC1=CC=CC(CF)=C1

Computed Properties

  • Exact Mass: 187.96369g/mol
  • Monoisotopic Mass: 187.96369g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 85
  • 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: 3.1
  • Topological Polar Surface Area: 0?2

BENZENE, 1-BROMO-3-(FLUOROMETHYL)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Apollo Scientific
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 456-43-9 95%
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 ￡288.00 2025-02-21
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Enamine
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Enamine
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 456-43-9 95%
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Enamine
EN300-6194085-2.5g
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 456-43-9 95%
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 $813.0 2023-05-30
Enamine
EN300-6194085-5.0g
1-bromo-3-(fluoromethyl)benzene
 456-43-9 95%
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 $1202.0 2023-05-30
Enamine
EN300-6194085-10.0g
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