Lot numbers can be found on the outside label of a product:
3,4-Dichlorobenzamide
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CAS No. 2670-38-4
- Cat. No. CS-0128418
- Purity≥95%
- MDL No.MFCD00053009
*For research and further manufacturing use only, not for direct human use.
Structure of 2670-38-4
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General Information
- CAS No. 2670-38-4
- Cat. No. CS-0128418
- Purity ≥95%
- MDL No. MFCD00053009
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₅Cl₂NO
- Molecular Weight 190.03
- Synonym(s) 3,4-bis(chloranyl)benzamide
- SMILES O=C(N)C1=CC=C(Cl)C(Cl)=C1
Description
3,4-Dichlorobenzamide features a rigid aromatic core with two chlorine substituents positioned ortho to the amide group, enhancing metabolic stability and lipophilicity. This structural motif enables selective binding in target-directed synthesis, particularly in pharmaceutical intermediates requiring halogen-mediated coupling efficiency. The compound exhibits excellent bench stability and solubility in common organic solvents.
Application
3,4-Dichlorobenzamide serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its dichloro-substituted aromatic core provides enhanced metabolic stability and modulates electronic properties for target engagement. The amide functionality offers reliable coupling compatibility and facilitates purification via crystallization or chromatography. This compound functions effectively in standard amide bond formation, Suzuki-Miyaura coupling, and electrophilic substitution reactions, making it a robust scaffold for lead optimization and API development.
Synthesis
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Route1
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In-stock
2642-63-9 - ~92%
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In-stock
2670-38-4
References
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Cao, Liping; Ding, Jiaoyang; Gao, Meng; Wang, Zihua; Li, Juan; Wu, Anxin Organic Letters, 2009 , vol. 11, # 17 p. 3810 - 3813
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Route2
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6287-38-3 - ~87%
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In-stock
2670-38-4
References
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Gowda, Ravikumar R.; Chakraborty, Debashis European Journal of Organic Chemistry, 2011 , # 12 p. 2226 - 2229
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Route3
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In-stock
18282-59-2 -
3019-71-4 - ~71%
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In-stock
2670-38-4
References
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Schade, Matthias A.; Manolikakes, Georg; Knochel, Paul Organic Letters, 2010 , vol. 12, # 16 p. 3648 - 3650
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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 43.09
- LogP 2.0923
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 1
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