Cas no 915095-85-1 ((5-Bromo-2-chlorophenyl)(4-fluorophenyl)methanone)

(5-Bromo-2-chlorophenyl)(4-fluorophenyl)methanone is a brominated and chlorinated aromatic ketone with a fluorophenyl substituent, offering versatile utility in synthetic organic chemistry. Its distinct substitution pattern enhances reactivity in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, making it a valuable intermediate for pharmaceutical and agrochemical applications. The presence of halogen atoms (bromo, chloro, and fluoro) provides multiple sites for selective functionalization, enabling precise structural modifications. This compound exhibits high purity and stability under standard conditions, ensuring reliable performance in complex synthetic pathways. Its well-defined molecular structure makes it suitable for research in drug discovery and material science, particularly in the development of biologically active molecules.
(5-Bromo-2-chlorophenyl)(4-fluorophenyl)methanone structure
915095-85-1 structure
Product Name:(5-Bromo-2-chlorophenyl)(4-fluorophenyl)methanone
CAS No:915095-85-1
MF:C13H7BrClFO
MW:313.549485445023
MDL:MFCD12410140
CID:2951516
PubChem ID:15941367
Update Time:2025-06-07

(5-Bromo-2-chlorophenyl)(4-fluorophenyl)methanone Chemical and Physical Properties

Names and Identifiers

    • 3-(4-氟苯基酮)基-1-溴-4-氯苯基
    • (5-bromo-2-chlorophenyl)(4-fluorophenyl)methanone
    • (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanone
    • AMY39947
    • (5-bromo-2-chlorophenyl)(4-fluorophenyl) methanone
    • Methanone, (5-bromo-2-chlorophenyl)(4-fluorophenyl)-
    • (5-Bromo-2-chlorophenyl)(4-fluorophenyl)methanone (ACI)
    • DB-120590
    • CS-0162265
    • D84028
    • SCHEMBL2637828
    • 915095-85-1
    • C13H7BrClFO
    • MFCD12410140
    • BS-17834
    • AKOS005831751
    • 5-Bromo-2-Chloro-4'-Fluorobenzophenone
    • (5-Bromo-2-chlorophenyl)(4-fluorophenyl)methanone
    • MDL: MFCD12410140
    • Inchi: 1S/C13H7BrClFO/c14-9-3-6-12(15)11(7-9)13(17)8-1-4-10(16)5-2-8/h1-7H
    • InChI Key: LVILQFKAGQFQEK-UHFFFAOYSA-N
    • SMILES: BrC1=CC=C(C(=C1)C(C1C=CC(=CC=1)F)=O)Cl

Computed Properties

  • Exact Mass: 311.93528g/mol
  • Monoisotopic Mass: 311.93528g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 279
  • 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: 4.5
  • Topological Polar Surface Area: 17.1

(5-Bromo-2-chlorophenyl)(4-fluorophenyl)methanone Pricemore >>

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(5-Bromo-2-chlorophenyl)(4-fluorophenyl)methanone Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Oxalyl chloride Catalysts: Dimethylformamide Solvents: Fluorobenzene ;  rt; 2 h, 21 - 25 °C
1.2 Catalysts: Aluminum chloride ;  < 25 °C
Reference
A NEW HETEROCYCLIC COMPOUND: CRYSTAL STRUCTURE AND ANTICANCER ACTIVITY AGAINST HUMAN LUNG ADENOCARCINOMA CELLS
Shi, E. H.; Wang, L. R.; Zhao, S.; Shen, L.; Zhang, C. Y.; et al, Journal of Structural Chemistry, 2020, 61(7), 1167-1174

Production Method 2

Reaction Conditions
1.1 Reagents: Oxalyl chloride Catalysts: Dimethylformamide ;  15 min, 12 - 25 °C; 2 h, 21 - 25 °C; 21 - 25 °C; 25 °C → 0 °C
1.2 Catalysts: Aluminum chloride ;  < 25 °C; 1 h, 23 - 25 °C
1.3 Solvents: Water
Reference
Efficient Synthesis of Empagliflozin, an Inhibitor of SGLT-2, Utilizing an AlCl3-Promoted Silane Reduction of a β-Glycopyranoside
Wang, Xiao-jun; Zhang, Li; Byrne, Denis; Nummy, Larry; Weber, Dirk; et al, Organic Letters, 2014, 16(16), 4090-4093

Production Method 3

Reaction Conditions
1.1 Reagents: Aluminum chloride Solvents: Dichloromethane ;  rt → 0 °C; 0 °C; 0 °C → rt; 18 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ;  cooled
Reference
A novel, simple and mild route for synthesis of dimer impurities of gliflozins by using PD (DBA)2
Rane, Rajesh A.; Suryawanshi, Mugdha R.; Babhulkar, Gauri V.; Male, Rohit D.; Ketkale, Sneha B.; et al, European Journal of Biomedical and Pharmaceutical Sciences, 2022, 9(10), 340-345

Production Method 4

Reaction Conditions
1.1 Catalysts: Aluminum chloride ;  < 25 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  5 - 25 °C
Reference
An efficient synthesis for empagliflozin (an inhibitor of SGLT-2)
Jayachandra, Sureshbabu; Sethi, Madhuresh Kumar; Kaushik, Vipin Kumar; Ravi, Vijaya Krishna; Pothani, Jayaram; et al, World Journal of Pharmacy and Pharmaceutical Sciences, 2018, 7(12), 537-545

(5-Bromo-2-chlorophenyl)(4-fluorophenyl)methanone Raw materials

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Suzhou Senfeida Chemical Co., Ltd
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(CAS:915095-85-1)(5-bromo-2-chlorophenyl)(4-fluorophenyl)methanone
Order Number:sfd14116
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:36
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Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:915095-85-1)3-(4-氟苯基酮)基-1-溴-4-氯苯基
Order Number:LE25872569
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:50
Price ($):discuss personally
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Suzhou Senfeida Chemical Co., Ltd
(CAS:915095-85-1)(5-bromo-2-chlorophenyl)(4-fluorophenyl)methanone
sfd14116
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:915095-85-1)3-(4-氟苯基酮)基-1-溴-4-氯苯基
LE25872569
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email