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CS-W001157 4
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3-Chloro-2-methylbenzaldehyde

  • CAS No. 874-27-1

  • Cat. No. CS-0136310
  • Purity≥98%
  • MDL No.MFCD11047716

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

3-Chloro-2-methylbenzaldehyde|CS-0136310

Structure of 874-27-1

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General Information

  • CAS No. 874-27-1
  • Cat. No. CS-0136310
  • Purity ≥98%
  • MDL No. MFCD11047716
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇ClO
  • Molecular Weight 154.59
  • Synonym(s) Benzaldehyde,3-chloro-2-methyl
  • SMILES O=CC1=C(C)C(Cl)=CC=C1

Description

3-Chloro-2-methylbenzaldehyde features a chlorinated aromatic ring with adjacent methyl and aldehyde groups, delivering enhanced reactivity in electrophilic substitution. This ortho-substituted scaffold enables efficient integration into pharmaceutical intermediates and functional materials. The molecule exhibits favorable stability under standard bench conditions, facilitating straightforward handling in synthetic workflows.

Application

3-Chloro-2-methylbenzaldehyde serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to substituted benzimidazoles, benzoxazoles, and other heterocyclic scaffolds via standard condensation and cyclization protocols. Its ortho-chloro and methyl substituents provide controlled reactivity and steric modulation, enhancing regioselectivity in electrophilic aromatic substitution and coupling reactions. Bench-stable and readily purified by distillation or recrystallization, it functions effectively in multi-step syntheses requiring functional group tolerance and predictable transformation pathways.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.46092
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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