Cas no 1736-84-1 (2,6-Dimethyl-3-nitrofluorobenzene)

2,6-Dimethyl-3-nitrofluorobenzene is a fluorinated aromatic compound characterized by its nitro and methyl substituents at the 3- and 2,6-positions, respectively. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly for pharmaceuticals and agrochemicals. The electron-withdrawing nitro group enhances electrophilic substitution reactions, while the fluorine atom offers selective functionalization opportunities. Its high purity and stability under standard conditions ensure reliable performance in demanding applications. The compound is commonly utilized in cross-coupling reactions and as a precursor for further derivatization. Proper handling is advised due to its potential sensitivity to heat and strong oxidizers.
2,6-Dimethyl-3-nitrofluorobenzene structure
1736-84-1 structure
Product Name:2,6-Dimethyl-3-nitrofluorobenzene
CAS No:1736-84-1
MF:C8H8FNO2
MW:169.153025627136
MDL:MFCD22683872
CID:118018
PubChem ID:45121123
Update Time:2025-10-29

2,6-Dimethyl-3-nitrofluorobenzene Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetaldehyde, a-oxo-4-(trifluoromethyl)-
    • 2-fluoro-1,3-dimethyl-4-nitrobenzene
    • 2-Fluoro-4-nitro-m-xylene
    • 2,6-DiMethyl-3-nitrofluorobenzene
    • m-Xylene, 2-fluoro-4-nitro- (7CI,8CI)
    • BENZENE, 2-FLUORO-1,3-DIMETHYL-4-NITRO-
    • 2,4-Dimethyl-3-fluoronitrobenzene
    • 2-Fuoro-1,3-dimethyl-4-nitrobenzene
    • AS05717
    • CM12261
    • 1,3-Dimethyl-2-fluoro-4-nitrobenzene
    • FCH2307837
    • AK201159
    • AKOS027252434
    • SCHEMBL14411817
    • SY023005
    • A856786
    • AS-33090
    • 1736-84-1
    • CS-0059666
    • MFCD22683872
    • 2-fluoro-1,3-dimethyl-4-nitro-benzene
    • DB-302534
    • m-Xylene, 2-fluoro-4-nitro-
    • 2,6-Dimethyl-3-nitrofluorobenzene
    • MDL: MFCD22683872
    • Inchi: 1S/C8H8FNO2/c1-5-3-4-7(10(11)12)6(2)8(5)9/h3-4H,1-2H3
    • InChI Key: PWCKAUYAICHCSR-UHFFFAOYSA-N
    • SMILES: FC1=C(C)C=CC(=C1C)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 169.054
  • Monoisotopic Mass: 169.054
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 180
  • 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: 45.8
  • XLogP3: 2.6

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.225±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: -1 oC
  • Boiling Point: 107-108 oC (14 Torr)
  • Flash Point: 103.1±25.9 oC,
  • Solubility: Very slightly soluble (0.14 g/l) (25 o C),
  • Vapor Pressure: No data available

2,6-Dimethyl-3-nitrofluorobenzene Security Information

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