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CS-W001157 4
Total: USD 88.00

1-Iodo-3-methylbenzene

  • CAS No. 625-95-6

  • Cat. No. CS-W014806
  • Purity≥98%
  • MDL No.MFCD00001050

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

1-Iodo-3-methylbenzene|CS-W014806

Structure of 625-95-6

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General Information

  • CAS No. 625-95-6
  • Cat. No. CS-W014806
  • Purity ≥98%
  • MDL No. MFCD00001050
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇I
  • Molecular Weight 218.04
  • Synonym(s) Toluene, m-iodo-; 1-Iodo-3-methylbenzene
  • SMILES CC1=CC(I)=CC=C1

Description

3-Iodotoluene (1-Iodo-3-methylbenzene) was used in the preparartion of indene derivatives.

Application

1-Iodo-3-methylbenzene serves as a versatile aryl halide building block in cross-coupling reactions, enabling efficient C–C bond formation via Pd-catalyzed methodologies. The meta-methyl substituent provides steric and electronic modulation, enhancing regioselectivity in Suzuki, Stille, and Negishi couplings. Bench-stable and readily purified by distillation, it functions reliably in the synthesis of substituted biaryls, pharmaceutical intermediates, and functionalized heterocycles.

Synthesis

  • Route1

    References

    • Ren, Yun-Lai; Tian, Xin-Zhe; Dong, Chuanhua; Zhao, Shuang; Wang, Jianji; Yan, Mengjie; Qi, Xiaoguang; Liu, Guihua Catalysis Communications, 2013 , vol. 32, p. 15 - 17
  • Route2
    • null|null
      201230-82-2
    • null|null
      16825-71-1
    • ~0%
    • In-stock
      1-Iodo-3-methylbenzene|CS-W014806
      625-95-6
    • In-stock
      3-Methylbenzoic acid|CS-0008583
      99-04-7

    References

    • Grushin, Vladimir V.; Alper, Hovard Journal of Organic Chemistry, 1993 , vol. 58, # 18 p. 4794 - 4795
  • Route3
    • null|null
      38676-16-3
    • ~79%
    • In-stock
      1-Iodo-3-methylbenzene|CS-W014806
      625-95-6

    References

    • Evers, Michel J.; Christiaens, Leon E.; Guillaume, Marcel R.; Renson, Marcel J. Journal of Organic Chemistry, 1985 , vol. 50, # 10 p. 1779 - 1780

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-H412
Precautionary Statements : P271-P261-P273-P305+P351+P338-P312-P337+P313-P405-P403+P233-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.59962
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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