3-Bromo-5-methylbenzoic acid

Name: 3-Bromo-5-methylbenzoic acid
Brand: ChemScene
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CAS No. 58530-13-5
Cat. No. CS-W014908
Purity≥98%
MDL No.MFCD02684926

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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 58530-13-5

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Description

3-Bromo-5-methylbenzoic acid features a bromine atom at the meta position relative to the carboxylic acid and a methyl group at the para position, creating a sterically hindered, electron-deficient aromatic scaffold. This combination enables direct coupling in palladium-catalyzed cross-coupling reactions and facilitates incorporation into bioactive molecules requiring precise electronic tuning.

Application

3-Bromo-5-methylbenzoic acid serves as a versatile building block for pharmaceutical and agrochemical synthesis, enabling efficient functionalization via palladium-catalyzed cross-coupling reactions. Its ortho-brominated aromatic core facilitates reliable Suzuki, Stille, or Negishi coupling, while the carboxylic acid group supports direct derivatization or esterification. The methyl substituent provides steric and electronic modulation, enhancing synthetic control in heterocycle construction and drug-like scaffold development. Bench-stable and readily purified by recrystallization, it functions effectively in standard reaction workflows.

General Information

CAS No. 58530-13-5
Cat. No. CS-W014908
Purity ≥98%
MDL No. MFCD02684926
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇BrO₂
Molecular Weight 215.05
Synonym(s) 3-Bromo-5-Methyl benzoic acid
SMILES BrC1=CC(=CC(=C1)C(=O)O)C

Computational Chemistry Data

TPSA 37.3
LogP 2.45572
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 1

Safety Information

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GHS Pictogram :	GHS No : GHS06,GHS09
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301-H400
Precautionary Statements : P273

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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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3-Bromo-5-methylbenzoic acid

CAS No. 58530-13-5

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