Lot numbers can be found on the outside label of a product:
3,5-Dichloro-4-methylbenzoic acid
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CAS No. 39652-34-1
- Cat. No. CS-W018861
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 39652-34-1
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General Information
- CAS No. 39652-34-1
- Cat. No. CS-W018861
- Purity ≥98%
- MDL No. None
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₆Cl₂O₂
- Molecular Weight 205.04
- Synonym(s) benzoic acid, 3,5-dichloro-4-methyl-
- SMILES O=C(O)C1=CC(Cl)=C(C)C(Cl)=C1
Description
This bench-stable, moisture-tolerant carboxylic acid features a methyl group flanked by two chlorine atoms at the 3 and 5 positions, creating a strongly electron-deficient aromatic ring. The para-chloro substitution pattern enhances reactivity in coupling reactions, while the methyl group provides steric and electronic modulation. This structure facilitates efficient derivatization for pharmaceutical intermediates and agrochemical synthesis under standard conditions.
Application
3,5-Dichloro-4-methylbenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, offering predictable reactivity in esterification, amide coupling, and Suzuki-Miyaura cross-coupling reactions. Its ortho-chloro substitution pattern enhances electrophilic functionalization potential, while the methyl group provides steric and electronic modulation. Bench-stable and readily purified by recrystallization, it functions effectively in multi-step syntheses requiring halogen-directed derivatization or incorporation into bioactive heterocyclic scaffolds.
Synthesis
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Route1
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In-stock
99-94-5 - ~81%
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In-stock
39652-34-1
References
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Rohm and Haas Company Patent: US5304572 A1, 1994 ;
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Route2
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124-38-9 -
177167-52-1 - ~91%
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In-stock
39652-34-1
References
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Schlosser, Manfred; Heiss, Christophe; Marzi, Elena; Scopelliti, Rosario European Journal of Organic Chemistry, 2006 , # 19 p. 4398 - 4404
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Route3
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124-38-9
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118-69-4
- ~%
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6575-24-2 -
In-stock
39652-34-1
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In-stock
83277-23-0
References
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Schlosser, Manfred; Heiss, Christophe; Marzi, Elena; Scopelliti, Rosario European Journal of Organic Chemistry, 2006 , # 19 p. 4398 - 4404
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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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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Quality Control
Computational Chemistry Data
- TPSA 37.3
- LogP 3.00002
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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