Cas no 461-96-1 (1-Bromo-3,5-difluorobenzene)

1-Bromo-3,5-difluorobenzene is a versatile aromatic bromide that combines the reactivity of bromine substitution with the electron-withdrawing effects of fluorine substitution. Its orthogonal positions facilitate selective further functionalization, while its difluoro substituents enhance solubility in organic solvents and stability towards hydrolysis.
1-Bromo-3,5-difluorobenzene structure
1-Bromo-3,5-difluorobenzene structure
Product Name:1-Bromo-3,5-difluorobenzene
CAS No:461-96-1
MF:C6H3BrF2
MW:192.988827943802
MDL:MFCD00010305
CID:37574
PubChem ID:136313
Update Time:2026-02-02

1-Bromo-3,5-difluorobenzene Chemical and Physical Properties

Names and Identifiers

    • 1-Bromo-3,5-difluorobenzene
    • 3,5-DIFLUOROBROMOBENZENE
    • 3,5-difluoro-1-bromobenzene
    • 1-Brom-3,5-difluorbenzol
    • 3,5-DIFLUOROBROMOBENZENE A.K.A.1-BROMO-3,5-DIFLUOR
    • 1-Bromo-3,5-difluoro
    • 1-bromo-3,5-difluorobenene
    • 1-bromo-3,5-difluoro-benzene
    • 4-bromo-2,6-difluorobenzene
    • 5-bromo-1,3-difluorobenzene
    • 5-difluorobenzene
    • 1-Bromo-3,5-difluorobenzene,99%
    • 1-bromo3,5-difluorobenzene
    • 461-96-1
    • CS-W001124
    • 1,3-Difluoro-5-bromobenzene; 1-Bromo-3,5-difluorobenzene; 3,5-Difluoro-1-bromobenzene; 3,5-Difluorobromobenzene; 3,5-Difluorophenyl Bromide; 5-Bromo-1,3-difluorobenzene
    • 1-Bromo-3,5-difluorobenzene, 98%
    • AC-13836
    • 1-Bromo-3,5-difluoro benzene
    • MFCD00010305
    • 1-bromo-3,5-diflorobenzene
    • 3,5-difluorophenyl bromide
    • AKOS000121085
    • SCHEMBL504770
    • 1-bromo-3,5-difluorobenzen
    • BCP25851
    • 1-Bromo-3 pound not5-difluorobenzene
    • NS00009520
    • J-504413
    • EC 416-710-2
    • EN300-23994
    • 3,5-difluoro bromobenzene
    • AC-9666
    • InChI=1/C6H3BrF2/c7-4-1-5(8)3-6(9)2-4/h1-3
    • 1-bromo-3,5-diflurobenzene
    • 3,5-difluoro-bromobenzene
    • DTXSID90196724
    • AS-11628
    • 461-91-6
    • 1-Bromo 3,5-difluorobenzene
    • DB-022054
    • bromo-3,5-difluorobenzene
    • B1764
    • 1-Bromo -3,5-difluorobenzene
    • Benzene, 1-bromo-3,5-difluoro-
    • MDL: MFCD00010305
    • Inchi: 1S/C6H3BrF2/c7-4-1-5(8)3-6(9)2-4/h1-3H
    • InChI Key: JHLKSIOJYMGSMB-UHFFFAOYSA-N
    • SMILES: FC1C=C(F)C=C(Br)C=1
    • BRN: 1931520

Computed Properties

  • Exact Mass: 191.93900
  • Monoisotopic Mass: 191.939
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 87.1
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.8
  • Topological Polar Surface Area: 0A^2

Experimental Properties

  • Color/Form: Colorless to yellowish liquid
  • Density: 1.676?g/mL?at 25?°C(lit.)
  • Melting Point: -27 oC
  • Boiling Point: 140°C
  • Flash Point: Fahrenheit: 111.2 ° f
    Celsius: 44 ° c
  • Refractive Index: n20/D 1.499(lit.)
  • PH: 6.6 (0.238g/l, H2O, 20℃)
  • Solubility: 0.238g/l
  • Water Partition Coefficient: 0.238 g/L (20 oC)
  • PSA: 0.00000
  • LogP: 2.72730
  • Solubility: dissolve in water

1-Bromo-3,5-difluorobenzene Security Information

1-Bromo-3,5-difluorobenzene Customs Data

  • HS CODE:2903399090
  • 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-Bromo-3,5-difluorobenzene Pricemore >>

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1-Bromo-3,5-difluorobenzene Suppliers

Suzhou Senfeida Chemical Co., Ltd
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(CAS:461-96-1)3,5-Difluorochlorobenzene
Order Number:1649430;sfd8274
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Quantity:Company Customization/200kg
Purity:98%/99.9%
Pricing Information Last Updated:Monday, 14 April 2025 21:49
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Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:461-96-1)3,5-dibromofluorobenzene
Order Number:LE6551;LE1649430
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 11:49
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Jiangsu Xinsu New Materials Co., Ltd
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(CAS:461-96-1)
Order Number:SFD990
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Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Wednesday, 11 December 2024 17:02
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1-Bromo-3,5-difluorobenzene Spectrogram

GC-MS
GC-MS
1H NMR 300 MHz DMSO
1H NMR
13C NMR
13C NMR

Additional information on 1-Bromo-3,5-difluorobenzene

Chemical Profile of 1-Bromo-3,5-difluorobenzene (CAS No. 461-96-1)

1-Bromo-3,5-difluorobenzene, with the chemical formula C?H?BrF?, is a fluorinated aromatic brominated compound that has garnered significant attention in the field of pharmaceutical and agrochemical research. This compound serves as a versatile intermediate in the synthesis of various bioactive molecules, particularly in the development of novel therapeutic agents. Its unique structural features, including the presence of both bromine and fluorine substituents, make it a valuable building block for further functionalization and derivatization.

The CAS no. 461-96-1 identifier firmly establishes this compound within the chemical registry, ensuring consistent referencing across scientific literature and industrial applications. As a halogenated aromatic compound, 1-bromo-3,5-difluorobenzene exhibits distinct electronic and steric properties that influence its reactivity and utility in synthetic chemistry. The bromine atom introduces a strong electron-withdrawing effect, while the two fluorine atoms at the 3 and 5 positions enhance lipophilicity and metabolic stability, which are critical factors in drug design.

In recent years, the pharmaceutical industry has shown increasing interest in fluorinated aromatic compounds due to their potential to improve drug efficacy and pharmacokinetic profiles. 1-Bromo-3,5-difluorobenzene has been employed in the synthesis of various small-molecule inhibitors targeting key biological pathways involved in diseases such as cancer, inflammation, and infectious disorders. For instance, studies have demonstrated its utility in generating substituted benzamides and benzothiazoles that exhibit potent inhibitory activity against specific enzymes.

One notable application of 1-bromo-3,5-difluorobenzene is in the development of kinase inhibitors, which are crucial for treating cancers and inflammatory diseases. Researchers have leveraged its reactive bromine moiety to introduce further functional groups through cross-coupling reactions such as Suzuki-Miyaura or Buchwald-Hartwig couplings. These transformations allow for the construction of complex molecular architectures with high precision, enabling the optimization of binding affinity and selectivity.

Moreover, the fluorine atoms in 1-bromo-3,5-difluorobenzene contribute to its stability under physiological conditions, reducing susceptibility to metabolic degradation. This characteristic is particularly advantageous in drug development, where prolonged half-life can enhance therapeutic outcomes. Recent advancements in computational chemistry have also facilitated the rational design of derivatives based on this scaffold by predicting binding interactions with biological targets.

The agrochemical sector has not been left behind in exploring the potential of 1-bromo-3,5-difluorobenzene. Its incorporation into pesticide formulations has led to the development of novel compounds with improved efficacy against resistant pests while maintaining environmental safety. The halogenated aromatic structure provides enhanced bioavailability and target specificity, making it a promising candidate for next-generation crop protection agents.

In conclusion, 1-bromo-3,5-difluorobenzene (CAS no. 461-96-1) represents a cornerstone intermediate in modern synthetic chemistry with far-reaching implications across pharmaceuticals and agrochemicals. Its unique structural attributes enable diverse chemical modifications, fostering innovation in drug discovery and agricultural science. As research continues to uncover new applications for this compound, its significance is expected to grow further within the scientific community.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:461-96-1)3,5-Difluorochlorobenzene
1649430;sfd8274
Purity:98%/99.9%
Quantity:Company Customization/200kg
Price ($):Inquiry/Inquiry
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:461-96-1)3,5-dibromofluorobenzene
LE6551;LE1649430
Purity:99%/99%
Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG
Price ($):Inquiry/Inquiry
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