Methyl 4-bromo-2,6-dichlorobenzoate

Name: Methyl 4-bromo-2,6-dichlorobenzoate
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CAS No. 232275-53-5
Cat. No. CS-0098694
Purity≥97%
MDL No.MFCD28037387

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Type	HazMat Fee
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FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Methyl 4-bromo-2,6-dichlorobenzoate|CS-0098694

Structure of 232275-53-5

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General Information

CAS No. 232275-53-5
Cat. No. CS-0098694
Purity ≥97%
MDL No. MFCD28037387
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅BrCl₂O₂
Molecular Weight 283.93
Synonym(s) None
SMILES O=C(C1=C(C=C(C=C1Cl)Br)Cl)OC

Description

Methyl 4-bromo-2,6-dichlorobenzoate features a sterically hindered aromatic core with complementary halogen substituents enabling precise cross-coupling transformations. The methyl ester group provides synthetic handle for downstream derivatization, while the bromine and chlorine atoms offer orthogonal reactivity profiles in Pd-catalyzed reactions under standard conditions.

Application

Methyl 4-bromo-2,6-dichlorobenzoate serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its well-defined halogen reactivity profile. The methyl ester group provides compatibility with standard hydrolysis and derivatization protocols. Bench-stable and readily purified by crystallization, it functions effectively in the construction of complex heterocycles and pharmaceutical intermediates under routine reaction conditions.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

TPSA 26.3
LogP 3.5425
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 4-bromo-2,6-dichlorobenzoate

CAS No. 232275-53-5

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