Cas no 953039-61-7 (2-Amino-3-bromo-5-fluorobenzaldehyde)

2-Amino-3-bromo-5-fluorobenzaldehyde structure
953039-61-7 structure
Product Name:2-Amino-3-bromo-5-fluorobenzaldehyde
CAS No:953039-61-7
MF:C7H5BrFNO
MW:218.023104429245
MDL:MFCD24629836
CID:2197097
PubChem ID:59325487
Update Time:2025-09-25

2-Amino-3-bromo-5-fluorobenzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2-Amino-3-bromo-5-fluorobenzaldehyde
    • Benzaldehyde, 2-amino-3-bromo-5-fluoro-
    • MWMYTVAARTWSIF-UHFFFAOYSA-N
    • 2-Amino-3-bromo-5-fluorobenzaldehyde (ACI)
    • 953039-61-7
    • CS-0146009
    • SCHEMBL1571069
    • F15862
    • AKOS030528713
    • 2-AMINO-3-BROMO-5-FLUORO-BENZALDEHYDE
    • DB-329858
    • MDL: MFCD24629836
    • Inchi: 1S/C7H5BrFNO/c8-6-2-5(9)1-4(3-11)7(6)10/h1-3H,10H2
    • InChI Key: MWMYTVAARTWSIF-UHFFFAOYSA-N
    • SMILES: BrC1=CC(=CC(C=O)=C1N)F

Computed Properties

  • Exact Mass: 216.95385g/mol
  • Monoisotopic Mass: 216.95385g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 155
  • 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: 43.1
  • XLogP3: 2

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2-Amino-3-bromo-5-fluorobenzaldehyde Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Manganese oxide (MnO2) Solvents: Chloroform ;  0 °C; 16 h, rt
Reference
Fused ring pyrimidine compound, intermediate, and preparation method, composition and use thereof
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Manganese oxide (MnO2) Solvents: Chloroform ;  overnight, rt → 40 °C
Reference
Preparation of tricyclic heteroaryl-substituted quinoline and azaquinoline compounds as PAR4 inhibitors
, World Intellectual Property Organization, , ,

Production Method 3

Reaction Conditions
1.1 Reagents: Manganese oxide (MnO2) Solvents: Chloroform ;  overnight, rt → 40 °C
Reference
Preparation of bicyclic heteroaryl substituted compounds as PAR4 inhibitors
, World Intellectual Property Organization, , ,

Production Method 4

Reaction Conditions
1.1 Reagents: Manganese oxide (MnO2) Solvents: Chloroform ;  0 °C; 16 h, rt
Reference
Condensed-ring pyrimidylamino derivatives, preparation method therefor, and intermediate, pharmaceutical composition and applications in the treatment of cancer
, World Intellectual Property Organization, , ,

Production Method 5

Reaction Conditions
1.1 Reagents: Manganese oxide (MnO2) Solvents: Dichloromethane ;  12 h, rt
Reference
2-Arylaminoquinazolines as PDKI inhibitors and their preparation and use in the treatment of proliferative diseases
, World Intellectual Property Organization, , ,

Production Method 6

Reaction Conditions
1.1 Reagents: Manganese oxide (MnO2) Solvents: Dichloromethane ;  12 h, rt
Reference
Preparation of quinazolines for PDK1 inhibition
, World Intellectual Property Organization, , ,

2-Amino-3-bromo-5-fluorobenzaldehyde Raw materials

2-Amino-3-bromo-5-fluorobenzaldehyde Preparation Products

2-Amino-3-bromo-5-fluorobenzaldehyde Related Literature

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