3-Chloro-p-toluic acid

Name: 3-Chloro-p-toluic acid
Brand: ChemScene
Availability: InStock
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CAS No. 5162-82-3
Cat. No. CS-0032913
Purity≥97%
MDL No.MFCD00045841

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Structure of 5162-82-3

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General Information

CAS No. 5162-82-3
Cat. No. CS-0032913
Purity ≥97%
MDL No. MFCD00045841
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇ClO₂
Molecular Weight 170.59
Synonym(s) 4-Methyl -3-Chlorobenzoic acid; 3-Chloro-p-toluic acid
SMILES CC1=C(Cl)C=C(C(O)=O)C=C1

Description

3-Chloro-p-toluic acid features a para-chlorinated benzene ring with a carboxylic acid group, delivering enhanced electron-withdrawing character and improved solubility in organic solvents. This combination enables efficient coupling reactions and facilitates incorporation into pharmaceutical intermediates and functional materials under standard conditions.

Application

3-Chloro-p-toluic acid serves as a versatile building block in synthetic organic chemistry, enabling the construction of substituted aromatic systems via standard coupling reactions. Its ortho-chloro and methyl groups provide orthogonal reactivity for selective functionalization, while the carboxylic acid functionality facilitates direct derivatization or amidation. The compound exhibits good bench stability and is readily purified by recrystallization, making it well-suited for use in medicinal chemistry campaigns and API intermediate synthesis.

Synthesis

Route1
- In-stock
  
  99-94-5
- ~90%
- In-stock
  
  5162-82-3
References
- Beletskaya, I. P.; Dem'yanov, P. I.; Makhon'kov, D. I.; Zel'dis, I. M.; Burenko, S. N. Journal of Organic Chemistry USSR (English Translation), 1981 , vol. 17, # 4 p. 583 - 591 Zhurnal Organicheskoi Khimii, 1981 , vol. 17, # 4 p. 673 - 681
Route2
- 124-38-9
- 95-73-8
- ~0%
- 118-90-1
- In-stock
  
  5162-82-3
- In-stock
  
  7499-06-1
- In-stock
  
  99-94-5
References
- Heintz, Monique; Sock, Oumar; Saboureau, Christophe; Perichon, Jacques; Troupel, Michel Tetrahedron, 1988 , vol. 44, # 6 p. 1631 - 1636
Route3
- In-stock
  
  104-87-0
- ~75%
- In-stock
  
  5162-82-3
References
- Nwaukwa, Stephen O.; Keehn, Philip M. Tetrahedron Letters, 1982 , vol. 23, # 31 p. 3131 - 3134

Safety Information

Download SDS

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

Quality Control

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Computational Chemistry Data

TPSA 37.3
LogP 2.34662
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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3-Chloro-p-toluic acid

CAS No. 5162-82-3

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