5-Bromo-1,3-dichloro-2-methylbenzene

Name: 5-Bromo-1,3-dichloro-2-methylbenzene
Brand: ChemScene
Availability: InStock
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CAS No. 204930-37-0
Cat. No. CS-0153541
Purity≥98%
MDL No.MFCD11227146

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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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5-Bromo-1,3-dichloro-2-methylbenzene|CS-0153541

Structure of 204930-37-0

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General Information

CAS No. 204930-37-0
Cat. No. CS-0153541
Purity ≥98%
MDL No. MFCD11227146
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅BrCl₂
Molecular Weight 239.92
Synonym(s) 4-bromo-2,6-dichlorotoluene
SMILES CC1=C(C=C(C=C1Cl)Br)Cl

Description

5-Bromo-1,3-dichloro-2-methylbenzene features a trifunctional aromatic core with bromo, chloro, and methyl substituents positioned for orthogonal reactivity. This electron-deficient scaffold enables selective cross-coupling and functionalization in medicinal chemistry workflows. The molecule exhibits enhanced stability under standard conditions and facilitates efficient incorporation into complex heterocyclic systems.

Application

5-Bromo-1,3-dichloro-2-methylbenzene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient late-stage functionalization via palladium-catalyzed cross-coupling reactions. The ortho-dichloro substitution pattern provides high regioselectivity in electrophilic aromatic substitution, while the methyl group offers a handle for oxidation or further derivatization. Bench-stable and compatible with standard purification methods, it facilitates scalable access to complex substituted arenes and heterocyclic scaffolds.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 0
LogP 4.06432
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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5-Bromo-1,3-dichloro-2-methylbenzene

CAS No. 204930-37-0

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