Cas no 859855-53-1 (3-Amino-4-fluorobenzonitrile)

3-Amino-4-fluorobenzonitrile structure
3-Amino-4-fluorobenzonitrile structure
Product Name:3-Amino-4-fluorobenzonitrile
CAS No:859855-53-1
MF:C7H5FN2
MW:136.126404523849
MDL:MFCD07787428
CID:69050
PubChem ID:15251694
Update Time:2025-09-22

3-Amino-4-fluorobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Amino-4-fluorobenzonitrile
    • 3-amino-4-chloro-benzonitrile
    • 3-amino-4-fluorobenzenecarbonitrile
    • 3-Amino-4-fluoro-benzonitrile
    • 5-Cyano-2-fluoroaniline
    • 3-Amino-4-fluorobenzonitrile (ACI)
    • BBL100282
    • BHMZMZOMQYFFQL-UHFFFAOYSA-N
    • CL8179
    • EN300-221498
    • CS-W017764
    • SB75424
    • SCHEMBL568906
    • Z1203583147
    • SY011566
    • DTXSID10570481
    • AC-2315
    • 3-Amino-4-fluoro benzonitrile
    • J-511613
    • DB-006329
    • 3-amino-4-fluorobenzonitrile, AldrichCPR
    • 859855-53-1
    • PS-9114
    • STL553849
    • AKOS005257292
    • MFCD07787428
    • MDL： MFCD07787428
    • Inchi： 1S/C7H5FN2/c8-6-2-1-5(4-9)3-7(6)10/h1-3H,10H2
    • InChI Key： BHMZMZOMQYFFQL-UHFFFAOYSA-N
    • SMILES： N#CC1C=C(N)C(F)=CC=1

Computed Properties

  • Exact Mass: 136.04400
  • Monoisotopic Mass: 136.04367633g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 160
  • 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: 1.2
  • Topological Polar Surface Area: 49.8?2

Experimental Properties

  • Color/Form: No data available
  • Density: 1.25
  • Melting Point: No data available
  • Boiling Point: 279.1±20.0 °C at 760 mmHg
  • Flash Point: 122.6℃
  • Refractive Index: 1.56
  • PSA: 49.81000
  • LogP: 1.86078

3-Amino-4-fluorobenzonitrile Security Information

3-Amino-4-fluorobenzonitrile Customs Data

  • HS CODE：2926909090
  • Customs Data：

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

3-Amino-4-fluorobenzonitrile Pricemore >>

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3-Amino-4-fluorobenzonitrile Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium fluoride Solvents: Acetic acid ,  Dimethyl sulfoxide ;  rt → reflux; reflux → 90 °C; 24 h, 90 °C
1.2 Reagents: Water ;  cooled
2.1 Reagents: Iron ,  Ammonium chloride Solvents: Water ;  5 min, rt → reflux
2.2 1 h, reflux; 5 h, reflux
2.3 Reagents: Sodium carbonate ,  Sodium hydroxide ;  pH 12
Reference
Preparation of 3,4-difluorobenzonitrile
Wang, Xiaofeng; et al, Zhongguo Yiyao Gongye Zazhi, 2008, 39(11), 814-815

Production Method 2

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol ;  120 min, 16 bar, rt
Reference
Gas-liquid flow hydrogenation of nitroarenes: Efficient access to a pharmaceutically relevant pyrrolobenzo[1,4]diazepine scaffold
Dimitriou, Eleni; et al, Tetrahedron, 2018, 74(47), 6795-6803

Production Method 3

Reaction Conditions
1.1 Reagents: Sulfuric acid ,  Fuming nitric acid Solvents: Acetic acid ,  Water ;  20 min, rt; 3 h, rt
1.2 Reagents: Water ;  cooled
2.1 Reagents: Potassium fluoride Solvents: Acetic acid ,  Dimethyl sulfoxide ;  rt → reflux; reflux → 90 °C; 24 h, 90 °C
2.2 Reagents: Water ;  cooled
3.1 Reagents: Iron ,  Ammonium chloride Solvents: Water ;  5 min, rt → reflux
3.2 1 h, reflux; 5 h, reflux
3.3 Reagents: Sodium carbonate ,  Sodium hydroxide ;  pH 12
Reference
Preparation of 3,4-difluorobenzonitrile
Wang, Xiaofeng; et al, Zhongguo Yiyao Gongye Zazhi, 2008, 39(11), 814-815

3-Amino-4-fluorobenzonitrile Raw materials

3-Amino-4-fluorobenzonitrile Preparation Products

3-Amino-4-fluorobenzonitrile Related Literature

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