Cas no 1286734-82-4 (1-bromo-4-fluoro-3-methyl-2-nitrobenzene)

1-Bromo-4-fluoro-3-methyl-2-nitrobenzene is a halogenated aromatic compound featuring bromine, fluorine, and nitro functional groups on a methyl-substituted benzene ring. Its distinct substitution pattern makes it a valuable intermediate in organic synthesis, particularly for pharmaceuticals, agrochemicals, and specialty materials. The presence of both electron-withdrawing (nitro, bromo, fluoro) and electron-donating (methyl) groups enables selective reactivity in cross-coupling reactions, nucleophilic substitutions, and further functionalization. The fluorine atom enhances metabolic stability in bioactive molecules, while the nitro group facilitates reduction to amines or serves as a directing group. This compound’s well-defined structure ensures consistent performance in multi-step synthetic routes.

1-bromo-4-fluoro-3-methyl-2-nitrobenzene structure

1286734-82-4 structure

Product Name:1-bromo-4-fluoro-3-methyl-2-nitrobenzene

CAS No:1286734-82-4

MF:C₇H₅BrFNO₂

MW:234.0225045681

MDL:MFCD18632532

CID:1223486

PubChem ID:53395648

Update Time:2025-10-29

1-bromo-4-fluoro-3-methyl-2-nitrobenzene Chemical and Physical Properties

Names and Identifiers

- 1-bromo-4-fluoro-3-methyl-2-nitrobenzene
- 5-Bromo-2-fluoro-6-nitrotoluene
- AKOS024258326
- 1-bromo-4-fluoro-3-methyl-2-nitro-benzene
- A888995
- CS-0138310
- SY036499
- SCHEMBL19690418
- DTXSID201262560
- DA-29615
- 1286734-82-4
- 3-Bromo-6-fluoro-2-nitrotoluene
- 5-BroMo-2-fluoro-6-nitrotoluene[3-BroMo-6-fluoro-2-nitrotoluene];5-Bromo-2-fluoro-6-nitrotoluene
- PS-10586
- Benzene, 1-bromo-4-fluoro-3-methyl-2-nitro-
- MFCD18632532
- MDL： MFCD18632532
- Inchi： 1S/C7H5BrFNO2/c1-4-6(9)3-2-5(8)7(4)10(11)12/h2-3H,1H3
- InChI Key： PZZUMDDGTJMPQD-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(C(C)=C1[N+](=O)[O-])F

Computed Properties

Exact Mass: 232.94877g/mol
Monoisotopic Mass: 232.94877g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 0
Heavy Atom Count: 12
Rotatable Bond Count: 1
Complexity: 185
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: 2.9
Topological Polar Surface Area: 45.8?2

Experimental Properties

Density: 1.696±0.06 g/cm3 (20 oC 760 Torr),
Boiling Point: 236.2±35.0 oC (760 Torr),
Flash Point: 96.6±25.9 oC,
Solubility: Almost insoluble (0.068 g/l) (25 o C),

1-bromo-4-fluoro-3-methyl-2-nitrobenzene Pricemore >>

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