Benzyl 4-iodobenzoate

Name: Benzyl 4-iodobenzoate
Brand: ChemScene
Availability: InStock
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CAS No. 136618-42-3
Cat. No. CS-0156253
Purity≥96%
MDL No.MFCD18072656

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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+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

There is a HazMat shipping fee for each item that qualifies as a dangerous good. Please contact our quotation team via email to confirm the details.

*For research and further manufacturing use only, not for direct human use.

Structure of 136618-42-3

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Description

Benzyl 4-iodobenzoate features a para-iodinated aromatic ring coupled to a benzyl ester moiety, enabling direct incorporation into cross-coupling reactions. The iodine atom serves as a reactive handle for palladium-catalyzed transformations, while the ester group offers stability and solubility in organic media. This compound delivers efficient access to functionalized aryl architectures under standard conditions.

Application

Benzyl 4-iodobenzoate serves as a versatile aryl iodide building block in transition-metal-catalyzed cross-coupling reactions, enabling efficient C–C bond formation under standard Suzuki, Stille, and Negishi conditions. The benzyl ester group provides bench stability and facilitates straightforward hydrolysis to the corresponding carboxylic acid. Its iodine functionality exhibits high reactivity and compatibility with diverse functional groups, making it a reliable intermediate for synthesizing substituted benzoic acid derivatives and complex heterocyclic scaffolds in medicinal chemistry and materials science applications.

General Information

CAS No. 136618-42-3
Cat. No. CS-0156253
Purity ≥96%
MDL No. MFCD18072656
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₁IO₂
Molecular Weight None
Synonym(s) Benzyl4-iodobenzoate
SMILES C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)I

Computational Chemistry Data

TPSA 26.3
LogP 3.6482
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 3

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-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Benzyl 4-iodobenzoate

CAS No. 136618-42-3

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