4-Bromo-2-ethylbenzoic acid

Name: 4-Bromo-2-ethylbenzoic acid
Brand: ChemScene
Availability: InStock
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CAS No. 644984-78-1
Cat. No. CS-0194762
Purity≥98%
MDL No.MFCD18410376

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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+

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Structure of 644984-78-1

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Description

4-Bromo-2-ethylbenzoic acid features a bromine atom at the para position and an ethyl group at the ortho position relative to the carboxylic acid, creating a sterically influenced, electron-deficient aromatic scaffold. This configuration enhances its utility in coupling reactions and as a building block for bioactive molecules. The compound exhibits bench-stable handling properties under standard conditions.

Application

4-Bromo-2-ethylbenzoic acid serves as a versatile building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. The ortho-ethyl and para-bromo substituents enable sequential functionalization via palladium-catalyzed cross-coupling and directed ortho-metalation. Its carboxylic acid group facilitates direct derivatization or salt formation, enhancing solubility and purification efficiency in synthetic workflows. Bench-stable and compatible with standard reaction conditions, it functions reliably in multistep medicinal chemistry campaigns.

General Information

CAS No. 644984-78-1
Cat. No. CS-0194762
Purity ≥98%
MDL No. MFCD18410376
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₉BrO₂
Molecular Weight 229.07
Synonym(s) Benzoic acid, 4-bromo-2-ethyl- (9CI)
SMILES CCC1=CC(=CC=C1C(=O)O)Br

Computational Chemistry Data

TPSA 37.3
LogP 2.7097
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 2

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

Quality Control

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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-Bromo-2-ethylbenzoic acid

CAS No. 644984-78-1

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