Ethyl 3,5-dichlorobenzoate

Name: Ethyl 3,5-dichlorobenzoate
Brand: ChemScene
Availability: InStock
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CAS No. 91085-56-2
Cat. No. CS-0151780
Purity≥98%
MDL No.MFCD00221467

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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+
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Structure of 91085-56-2

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General Information

CAS No. 91085-56-2
Cat. No. CS-0151780
Purity ≥98%
MDL No. MFCD00221467
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₈Cl₂O₂
Molecular Weight 219.06
Synonym(s) benzoic acid, 3,5-dichloro-, ethyl ester
SMILES CCOC(=O)C1=CC(=CC(=C1)Cl)Cl

Description

Ethyl 3,5-dichlorobenzoate features a benzene ring bearing two chlorine substituents at the meta positions and an ester group at C-3. This electron-deficient aryl motif enables direct functionalization in cross-coupling reactions. The compound exhibits high stability under standard conditions and integrates readily into synthetic sequences requiring halogenated aromatic intermediates.

Application

Ethyl 3,5-dichlorobenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of substituted aromatic scaffolds. Its dual chloro substituents at the meta positions provide orthogonal reactivity for subsequent functionalization via palladium-catalyzed cross-coupling or nucleophilic aromatic substitution. The ester group offers compatibility with standard reduction and derivatization protocols, facilitating access to key intermediates for pharmaceutical and agrochemical research. Bench-stable and readily purified by crystallization, it functions reliably in multi-step synthesis workflows.

Synthesis

Route1
- 64-17-5
- In-stock
  
  51-36-5
- ~%
- In-stock
  
  91085-56-2
References
- Journal of Heterocyclic Chemistry, , vol. 50, # 4 p. 945 - 948

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-P302+P352-P304+P340

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Computational Chemistry Data

TPSA 26.3
LogP 3.1701
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Ethyl 3,5-dichlorobenzoate

CAS No. 91085-56-2

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