Lot numbers can be found on the outside label of a product:
4-Chloro-2-methylbenzoic acid
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CAS No. 7499-07-2
- Cat. No. CS-W008346
- Purity≥97%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 7499-07-2
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General Information
- CAS No. 7499-07-2
- Cat. No. CS-W008346
- Purity ≥97%
- MDL No. None
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₇ClO₂
- Molecular Weight 170.59
- Synonym(s) 4-Chloro-o-toluic Acid
- SMILES C1=CC(=CC(=C1C(O)=O)C)Cl
Description
4-Chloro-2-methylbenzoic acid features a strategically positioned chloro group and methyl substituent on the benzene ring, delivering enhanced electron-withdrawing character and improved solubility in organic solvents. This structural arrangement facilitates direct incorporation into pharmaceutical intermediates and agrochemical scaffolds via standard coupling reactions under mild conditions.
Application
4-Chloro-2-methylbenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct incorporation of a chlorinated aromatic core with orthogonal functional handles. Its carboxylic acid group facilitates amide coupling, esterification, and metal-catalyzed transformations, while the ortho-methyl and para-chloro substituents provide steric and electronic modulation. The compound exhibits excellent bench stability and ease of purification, supporting reliable use in multi-step syntheses and scale-up processes.
Synthesis
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Route1
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74-88-4 - ~82%
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In-stock
7499-07-2
References
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Edgar, Dale; Hangauer, David Patent: US2005/239838 A1, 2005 ; Location in patent: Page/Page column 40 ; US 20050239838 A1
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Route2
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74-11-3 -
74-88-4
- ~75%
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In-stock
7499-07-2
References
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Boehringer Ingelheim (Canada) Ltd. Patent: US2003/236251 A1, 2003 ; Location in patent: Page 24-25 ;
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Route3
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615-60-1 - ~10%
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In-stock
7499-07-2
References
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Sasson, Yoel; Al Quntar, Abed El-Aziz; Zoran, Ami Chemical Communications, 1998 , # 1 p. 73 - 74
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS05,GHS07
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Signal Word : Danger
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UN#: 1759
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Class : 8
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Packing Group : Ⅲ
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Hazard Statements : H302-H318
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Precautionary Statements : P264-P270-P280-P280-P501
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Quality Control
Computational Chemistry Data
- TPSA 37.3
- LogP 2.34662
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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