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CS-W001157 4
Total: USD 88.00

2-Fluoro-3-nitrobenzoic acid

  • CAS No. 317-46-4

  • Cat. No. CS-W004764
  • Purity≥98%
  • MDL No.MFCD06797825

*For research and further manufacturing use only, not for direct human use.

2-Fluoro-3-nitrobenzoic acid|CS-W004764

Structure of 317-46-4

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General Information

  • CAS No. 317-46-4
  • Cat. No. CS-W004764
  • Purity ≥98%
  • MDL No. MFCD06797825
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄FNO₄
  • Molecular Weight 185.11
  • Synonym(s) benzoic acid, 2-fluoro-3-nitro-
  • SMILES O=C(O)C1=CC=CC([N+]([O-])=O)=C1F

Description

2-Fluoro-3-nitrobenzoic acid features a fluorine atom at the ortho position and a nitro group at the meta position relative to the carboxylic acid, creating a highly electron-deficient aromatic system. This combination enhances reactivity in electrophilic substitution and facilitates coupling reactions. The molecule exhibits bench-stable behavior under standard conditions and integrates readily into complex molecular architectures.

Application

2-Fluoro-3-nitrobenzoic acid serves as a versatile building block for functionalized aromatic scaffolds, enabling direct incorporation into pharmaceutical intermediates and agrochemicals. Its ortho-fluoro and meta-nitro substituents provide orthogonal reactivity for nucleophilic substitution and reduction, respectively, while the carboxylic acid group facilitates coupling reactions. Bench-stable and amenable to standard purification methods, it functions reliably in multistep syntheses requiring selective transformations.

Synthesis

  • Route1

    References

    • GLAXOSMITHKLINE LLC; ADAMS, Jerry, Leroy; FAITG, Thomas; KASPAREC, Jiri; PENG, Xin; RALPH, Jeffrey; RHEAULT, Tara Renae; WATERSON, Alex Gregory Patent: WO2011/59610 A1, 2011 ; Location in patent: Page/Page column 87-88 ; WO 2011/059610 A1
  • Route2

    References

    • WO2011/79133 A2, ; Page/Page column 152 ; WO 2011/079133 A2
  • Route3

    References

    • Bulletin des Societes Chimiques Belges, , vol. 39, p. 101

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   80.44
  • LogP   1.4321
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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