1-Bromo-2-chloro-5-fluoro-4-methylbenzene

Name: 1-Bromo-2-chloro-5-fluoro-4-methylbenzene
Brand: ChemScene
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CAS No. 201849-17-4
Cat. No. CS-W002422
Purity≥98%
MDL No.MFCD00143269

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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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1-Bromo-2-chloro-5-fluoro-4-methylbenzene|CS-W002422

Structure of 201849-17-4

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General Information

CAS No. 201849-17-4
Cat. No. CS-W002422
Purity ≥98%
MDL No. MFCD00143269
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅BrClF
Molecular Weight 223.47
Synonym(s) 4-Bromo-5-chloro-2-fluorotoluene
SMILES Fc1cc(Br)c(cc1C)Cl

Description

1-Bromo-2-chloro-5-fluoro-4-methylbenzene features a densely halogenated aromatic core with orthogonal reactivity, enabling selective cross-coupling in late-stage functionalization. The methyl group enhances lipophilicity and provides a handle for further derivatization. This compound exhibits robust stability under standard bench conditions and integrates seamlessly into complex molecular architectures.

Application

1-Bromo-2-chloro-5-fluoro-4-methylbenzene serves as a versatile ortho-disubstituted aryl building block for palladium-catalyzed cross-coupling reactions. The bromo group enables efficient Suzuki, Stille, and Negishi coupling, while the chloro and fluoro substituents provide orthogonal reactivity and enhanced metabolic stability in medicinal chemistry applications. Bench-stable and compatible with standard purification methods, it facilitates the construction of complex biaryl and heterocyclic scaffolds under mild 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 : 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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Computational Chemistry Data

TPSA 0
LogP 3.55002
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Bromo-2-chloro-5-fluoro-4-methylbenzene

CAS No. 201849-17-4

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