Cas no 1263178-51-3 (1-(Bromomethyl)-3-(difluoromethyl)benzene)

1-(Bromomethyl)-3-(difluoromethyl)benzene is a versatile aromatic compound featuring both bromomethyl and difluoromethyl functional groups, making it a valuable intermediate in organic synthesis. The bromomethyl moiety offers reactivity for nucleophilic substitution reactions, enabling further derivatization, while the difluoromethyl group enhances stability and influences electronic properties. This compound is particularly useful in pharmaceutical and agrochemical research, where fluorinated aromatic structures are often sought for their metabolic stability and bioavailability. Its well-defined reactivity profile allows for precise modifications in complex molecular frameworks. Suitable for cross-coupling and other transformations, it serves as a key building block in the development of advanced materials and bioactive molecules.
1-(Bromomethyl)-3-(difluoromethyl)benzene structure
1263178-51-3 structure
Product Name:1-(Bromomethyl)-3-(difluoromethyl)benzene
CAS No:1263178-51-3
MF:C8H7BrF2
MW:221.041988611221
MDL:MFCD18791600
CID:1004486
PubChem ID:56776414
Update Time:2025-08-10

1-(Bromomethyl)-3-(difluoromethyl)benzene Chemical and Physical Properties

Names and Identifiers

    • 1-(Bromomethyl)-3-(difluoromethyl)benzene, 3-(Bromomethyl)-alpha,alpha-difluorotoluene, 3-(Bromomethyl)benzal fluoride
    • 1-(bromomethyl)-3-(difluoromethyl)benzene
    • 1-Bromomethyl-3-difluoromethyl-benzene
    • 3-(Bromomethyl)benzal fluoride
    • 3-(Difluoromethyl)benzyl bromide
    • 3-(Difluoromethyl)benzylBromide
    • SY033946
    • 3-(Bromomethyl)-alpha,alpha-difluorotoluene
    • Benzene, 1-(bromomethyl)-3-(difluoromethyl)-
    • DB-102785
    • SCHEMBL15094029
    • MFCD18791600
    • 1263178-51-3
    • PS-10016
    • ZLEPJRZWCZMUGA-UHFFFAOYSA-N
    • DTXSID00718310
    • 1-(Bromomethyl)-3-(difluoromethyl)benzene, 3-(Bromomethyl)-alpha,alpha-difluorotoluene, 3-(Bromometh
    • A858013
    • EN300-4249576
    • AKOS017549478
    • F10346
    • 1-(Bromomethyl)-3-(difluoromethyl)benzene
    • MDL： MFCD18791600
    • Inchi： 1S/C8H7BrF2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,8H,5H2
    • InChI Key： ZLEPJRZWCZMUGA-UHFFFAOYSA-N
    • SMILES： BrCC1=CC=CC(C(F)F)=C1

Computed Properties

  • Exact Mass: 219.97000
  • Monoisotopic Mass: 219.96992g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 117
  • 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: 0
  • XLogP3: 3.1

Experimental Properties

  • Density: 1.504±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 223.1±35.0 oC (760 Torr),
  • Flash Point: 88.7±25.9 oC,
  • Solubility: Almost insoluble (0.018 g/l) (25 o C),
  • PSA: 0.00000
  • LogP: 3.51910

1-(Bromomethyl)-3-(difluoromethyl)benzene Customs Data

  • HS CODE：2903999090
  • Customs Data：

    China Customs Code:

    2903999090

    Overview:

    2903999090 Other aromatic halogenated derivatives. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

1-(Bromomethyl)-3-(difluoromethyl)benzene Pricemore >>

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