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CS-W001157 4
Total: USD 88.00

3-Chloro-5-methylphenol

  • CAS No. 58291-77-3

  • Cat. No. CS-W018769
  • Purity≥98%
  • MDL No.MFCD08234650

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

3-Chloro-5-methylphenol|CS-W018769

Structure of 58291-77-3

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General Information

  • CAS No. 58291-77-3
  • Cat. No. CS-W018769
  • Purity ≥98%
  • MDL No. MFCD08234650
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇ClO
  • Molecular Weight None
  • Synonym(s) 5-Chloro-m-cresol
  • SMILES CC1=CC(O)=CC(Cl)=C1

Description

3-Chloro-5-methylphenol features a chlorinated aromatic ring with a methyl group positioned ortho to the phenolic hydroxyl, enhancing electron density at the reaction site. This substitution pattern supports efficient coupling in cross-coupling and electrophilic functionalization processes. The compound exhibits bench-stable handling characteristics and tolerates standard synthetic conditions.

Application

3-Chloro-5-methylphenol serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient functionalization at the phenolic hydroxyl group. Its ortho-chloro and meta-methyl substituents provide regioselective reactivity for electrophilic substitution and coupling reactions. The compound exhibits good bench stability and facilitates straightforward purification, making it suitable for multi-step synthetic sequences requiring selective transformations.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P310-P312-P330-P332+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   2.35402
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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