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CS-W001157 4
Total: USD 88.00

1-(Bromomethyl)-4-iodo-2-nitrobenzene

  • CAS No. 375792-98-6

  • Cat. No. CS-0654813
  • Purity≥98%
  • MDL No.None

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

1-(Bromomethyl)-4-iodo-2-nitrobenzene|CS-0654813

Structure of 375792-98-6

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General Information

  • CAS No. 375792-98-6
  • Cat. No. CS-0654813
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BrINO₂
  • Molecular Weight 341.93
  • Synonym(s) None
  • SMILES C1=CC(=C(C=C1I)[N+](=O)[O-])CBr

Description

1-(Bromomethyl)-4-iodo-2-nitrobenzene features a bromomethyl group flanked by iodine and a nitro substituent, enabling selective cross-coupling and functionalization. The electron-deficient aromatic core enhances reactivity in palladium-catalyzed transformations, while the bench-stable structure simplifies handling in synthetic workflows.

Application

1-(Bromomethyl)-4-iodo-2-nitrobenzene serves as a versatile di-functional building block in cross-coupling and nucleophilic substitution workflows. The bromomethyl group enables palladium-catalyzed coupling reactions, while the iodo substituent offers orthogonal reactivity for further functionalization. The nitro group enhances electrophilicity at the aromatic ring and provides compatibility with standard reduction and cyclization protocols. This compound exhibits bench stability and facilitates efficient purification, making it well-suited for iterative synthesis of complex heterocycles and pharmaceutical intermediates.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   3.0943
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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