Cas no 400751-05-5 (3-(3-fluorophenyl)aniline)

3-(3-Fluorophenyl)aniline is a fluorinated aromatic amine with the molecular formula C??H??FN. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. The presence of both an amine group and a fluorine substituent enhances its reactivity, enabling selective functionalization for complex molecular architectures. Its fluorophenyl moiety contributes to improved metabolic stability and binding affinity in bioactive compounds. The compound is typically supplied as a high-purity solid, ensuring consistent performance in synthetic applications. Proper handling is advised due to potential amine-related hazards. Its structural features make it valuable for research and industrial applications requiring tailored aromatic building blocks.
3-(3-fluorophenyl)aniline structure
3-(3-fluorophenyl)aniline structure
Product Name:3-(3-fluorophenyl)aniline
CAS No:400751-05-5
MF:C12H10FN
MW:187.212906360626
MDL:MFCD03424673
CID:1067316
PubChem ID:2782679
Update Time:2025-05-27

3-(3-fluorophenyl)aniline Chemical and Physical Properties

Names and Identifiers

    • 3'-Fluoro-[1,1'-biphenyl]-3-amine
    • 3'-Fluoro-biphenyl-3-ylamine
    • 3'-FLUOROBIPHENYL-3-YLAMINE
    • 3-(3-fluorophenyl)aniline
    • 3'-Fluoro-biphenyl-3-amine
    • CGGCBTFQZVWVJR-UHFFFAOYSA-N
    • 3'-fluoro[1,1'-biphenyl]-3-amine
    • 3',5'-DIFLUORO-[1,1'-BIPHENYL]-3-AMINE
    • 400751-05-5
    • (3'-fluorobiphenyl-3-yl)amine
    • EN300-1142106
    • SCHEMBL3790609
    • DTXSID70382209
    • AS-39053
    • CS-0269142
    • MFCD03424673
    • 3'-FLUOROBIPHENYL-3-AMINE
    • AKOS000303058
    • DB-028377
    • MDL: MFCD03424673
    • Inchi: 1S/C12H10FN/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H,14H2
    • InChI Key: CGGCBTFQZVWVJR-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(=C1)C1C=CC=C(C=1)N

Computed Properties

  • Exact Mass: 187.08000
  • Monoisotopic Mass: 187.079727485g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 183
  • 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
  • Topological Polar Surface Area: 26?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 342.8±25.0 °C at 760 mmHg
  • Flash Point: 179.5±9.7 °C
  • PSA: 26.02000
  • LogP: 3.65610
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

3-(3-fluorophenyl)aniline Security Information

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3-(3-fluorophenyl)aniline Suppliers

Amadis Chemical Company Limited
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(CAS:400751-05-5)3-(3-fluorophenyl)aniline
Order Number:A873476
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 09:39
Price ($):367.0
Recommended suppliers
Amadis Chemical Company Limited
(CAS:400751-05-5)3-(3-fluorophenyl)aniline
A873476
Purity:99%
Quantity:1g
Price ($):367.0
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