Cas no 70680-21-6 (1,1'-Biphenyl, 4-methyl-2'-nitro-)

1,1'-Biphenyl, 4-methyl-2'-nitro- is a nitro-substituted biphenyl derivative characterized by its distinct molecular structure, featuring a methyl group at the 4-position and a nitro group at the 2'-position. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty chemicals. Its biphenyl framework provides structural stability, while the nitro and methyl substituents enhance reactivity for further functionalization. The compound exhibits moderate solubility in organic solvents, facilitating its use in various reaction conditions. Its well-defined chemical properties make it a reliable building block for constructing complex molecular architectures in research and industrial applications.
1,1'-Biphenyl, 4-methyl-2'-nitro- structure
70680-21-6 structure
Product Name:1,1'-Biphenyl, 4-methyl-2'-nitro-
CAS No:70680-21-6
MF:C13H11NO2
MW:213.231943368912
MDL:MFCD00222363
CID:546843
PubChem ID:10443194
Update Time:2025-10-29

1,1'-Biphenyl, 4-methyl-2'-nitro- Chemical and Physical Properties

Names and Identifiers

    • 1,1'-Biphenyl, 4-methyl-2'-nitro-
    • 1-(4-methylphenyl)-2-nitrobenzene
    • 1,1'-Biphenyl,4-methyl-2'-nitro
    • 2'-nitro-4-methyl-1,1'-biphenyl
    • 2-nitro-4'-methylbiphenyl
    • 4'-methyl-2-nitro-1,1'-biphenyl
    • 4'-methyl-2-nitro-biphenyl
    • 4 inverted exclamation mark -Methyl-2-nitrobiphenyl
    • 70680-21-6
    • XOFOCFDXWDCHJH-UHFFFAOYSA-N
    • 4-Methyl-2'-nitro-1,1'-biphenyl
    • DTXSID10439983
    • 4-Methyl-2 inverted exclamation mark -nitrobiphenyl
    • 2-(4-methylphenyl)nitrobenzene
    • 4-methyl-2'-nitro[1,1'-biphenyl]
    • SCHEMBL2954856
    • SY286665
    • 4-Methyl-2'-nitrobiphenyl
    • 4'-methyl-2-nitrobiphenyl
    • MDL: MFCD00222363
    • Inchi: 1S/C13H11NO2/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14(15)16/h2-9H,1H3
    • InChI Key: XOFOCFDXWDCHJH-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=CC=CC=1C1C=CC(C)=CC=1)=O

Computed Properties

  • Exact Mass: 213.07900
  • Monoisotopic Mass: 213.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 241
  • 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: 3.9
  • Topological Polar Surface Area: 45.8?2

Experimental Properties

  • PSA: 45.82000
  • LogP: 4.09340

1,1'-Biphenyl, 4-methyl-2'-nitro- Pricemore >>

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Additional information on 1,1'-Biphenyl, 4-methyl-2'-nitro-

Compound CAS No. 70680-21-6: A Comprehensive Overview of 1,1'-Biphenyl, 4-Methyl-2'-Nitro

The compound with CAS No. 70680-21-6, commonly referred to as 1,1'-biphenyl, 4-methyl-2'-nitro, is a significant molecule in the field of organic chemistry and materials science. This compound is characterized by its unique structure, which consists of two benzene rings connected by a single bond (biphenyl system), with specific substituents that influence its chemical properties and applications.

The 4-methyl group and the 2'-nitro group attached to the biphenyl framework introduce distinct electronic effects and steric hindrance, making this compound a versatile building block for various chemical reactions and applications. Recent studies have highlighted its potential in the synthesis of advanced materials, pharmaceuticals, and electronic devices.

Recent research has focused on the synthesis and characterization of 1,1'-biphenyl, 4-methyl-2'-nitro. One notable advancement involves the development of efficient synthetic routes using catalytic cross-coupling reactions, such as the Suzuki-Miyaura coupling and Buchwald-Hartwig amination. These methods have significantly improved the yield and purity of the compound while reducing reaction time and cost.

In terms of applications, 1,1'-biphenyl derivatives have been extensively studied for their role in drug discovery. The presence of the nitro group in this compound makes it a valuable intermediate in the synthesis of biologically active molecules targeting various diseases, including cancer and neurodegenerative disorders.

The electronic properties of this compound have also been explored for use in organic electronics. The biphenyl system with substituents like methyl and nitro groups can modulate the molecule's conductivity and stability under different conditions.

Recent studies have also examined the environmental impact and toxicity profile of this compound. Researchers have found that under specific conditions, it exhibits low toxicity to aquatic organisms when properly managed.

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