Cas no 96516-29-9 (2-Fluoro-3-nitrobenzaldehyde)

2-Fluoro-3-nitrobenzaldehyde is a fluorinated nitroaromatic aldehyde with the molecular formula C?H?FNO?. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of both fluoro and nitro substituents on the benzaldehyde scaffold enhances its reactivity, enabling selective functionalization at specific positions. Its electron-withdrawing groups facilitate nucleophilic aromatic substitution (SNAr) reactions, making it valuable for constructing complex heterocyclic frameworks. The compound exhibits high purity and stability under standard storage conditions, ensuring reliable performance in synthetic applications. Its well-defined structure and consistent quality make it a preferred choice for research and industrial-scale synthesis.
2-Fluoro-3-nitrobenzaldehyde structure
2-Fluoro-3-nitrobenzaldehyde structure
Product Name:2-Fluoro-3-nitrobenzaldehyde
CAS No:96516-29-9
MF:C7H4FNO3
MW:169.109965324402
MDL:MFCD08669885
CID:838714
PubChem ID:10487325
Update Time:2025-06-07

2-Fluoro-3-nitrobenzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2-Fluoro-3-nitrobenzaldehyde
    • Benzaldehyde, 2-fluoro-3-nitro-
    • 2-fluoro-3-nitro-benzaldehyde
    • WLDHPJSICUOHTH-UHFFFAOYSA-N
    • AB46095
    • SY025595
    • ST2409978
    • W9810
    • AM20050213
    • 2-Fluoro-3-nitrobenzaldehyde (ACI)
    • Z1198180704
    • DB-080428
    • MFCD08669885
    • DS-0441
    • AKOS006290001
    • DTXSID90440658
    • 96516-29-9
    • CS-W003540
    • SCHEMBL698799
    • J-509378
    • EN300-211255
    • MDL: MFCD08669885
    • Inchi: 1S/C7H4FNO3/c8-7-5(4-10)2-1-3-6(7)9(11)12/h1-4H
    • InChI Key: WLDHPJSICUOHTH-UHFFFAOYSA-N
    • SMILES: O=CC1C(F)=C([N+](=O)[O-])C=CC=1

Computed Properties

  • Exact Mass: 169.01800
  • Monoisotopic Mass: 169.01752115g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 192
  • 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: 62.9
  • XLogP3: 1.3

Experimental Properties

  • Density: 1.443
  • Boiling Point: 279 oC
  • Flash Point: 122 oC
  • PSA: 62.89000
  • LogP: 2.06960

2-Fluoro-3-nitrobenzaldehyde Security Information

2-Fluoro-3-nitrobenzaldehyde Pricemore >>

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2-Fluoro-3-nitrobenzaldehyde Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Manganese oxide (MnO2) Solvents: Ethyl acetate ;  2.5 h, reflux
Reference
Antipoxvirus Activity Evaluation of Optimized Corroles Based on Development of Autofluorescent ANCHOR Myxoma Virus
Kappler-Gratias, Sandrine; Bucher, Leo; Top, Sokunthea; Quentin-Froignant, Charlotte; Desbois, Nicolas ; et al, ACS Infectious Diseases, 2021, 7(8), 2370-2382

Production Method 2

Reaction Conditions
1.1 Catalysts: Tempo ,  Cuprous chloride Solvents: Dimethyl sulfoxide
Reference
Development and pilot scale implementation of safe aerobic Cu/TEMPO oxidation in a batch reactor
Lemaitre, Sylvain; Romain, Anne-Lise; Bariere, Francois; Craquelin, Anthony; Copin, Chloe; et al, Green Chemistry, 2023, 25(14), 5698-5711

Production Method 3

Reaction Conditions
Reference
1,4-Dihydropyridine-3,5-dicarboxylic acid diester derivatives
, Japan, , ,

Production Method 4

Reaction Conditions
Reference
1,4-Dihydropyridine derivatives, and their pharmaceutical use
, European Patent Organization, , ,

Production Method 5

Reaction Conditions
1.1 Reagents: Potassium fluoride
Reference
Synthesis and antihypertensive activity of 1,4-dihydropyridine derivatives with a 4-(disubstituted phenyl) ring and an aminoalkyl ester group: highly potent and long-lasting calcium antagonists
Kanno, Hideo; Yamaguchi, Hisao; Okamiya, Yoshiaki; Sunakawa, Kiyotaka; Takeshita, Toru; et al, Chemical & Pharmaceutical Bulletin, 1992, 40(8), 2049-54

Production Method 6

Reaction Conditions
1.1 Reagents: Potassium fluoride Solvents: Dimethylformamide ;  5 h, 150 °C
Reference
Preparation of the condensed bi-heterocycles as inhibiting agents for bruton's tyrosine kinase
, World Intellectual Property Organization, , ,

Production Method 7

Reaction Conditions
1.1 Reagents: Potassium fluoride Solvents: Dimethylformamide ;  rt → 150 °C; 5 h, 150 °C
Reference
Preparation of triazinamine derivatives as inhibiting agents for Bruton's tyrosine kinase
, World Intellectual Property Organization, , ,

Production Method 8

Reaction Conditions
Reference
Nitration of Strongly Deactivated Aromatics with Superacidic Mixed Nitric-Triflatoboric Acid (HNO3/2CF3SO3H-B(O3SCF3)3)
Olah, George A.; Orlinkov, Alexander; Oxyzoglou, Alexandros B.; Prakash, G. K. Surya, Journal of Organic Chemistry, 1995, 60(22), 7348-50

Production Method 9

Reaction Conditions
Reference
1,4-Dihydropyridines
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Production Method 10

Reaction Conditions
Reference
Halonitrobenzaldehyde derivatives
, Japan, , ,

2-Fluoro-3-nitrobenzaldehyde Raw materials

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