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

Name: 1-Bromo-4-chloro-2-fluoro-5-methylbenzene
Brand: ChemScene
Availability: InStock
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CAS No. 200190-87-0
Cat. No. CS-0088407
Purity≥96%
MDL No.MFCD09800685

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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+
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1-Bromo-4-chloro-2-fluoro-5-methylbenzene|CS-0088407

Structure of 200190-87-0

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General Information

CAS No. 200190-87-0
Cat. No. CS-0088407
Purity ≥96%
MDL No. MFCD09800685
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅BrClF
Molecular Weight 223.47
Synonym(s) 2-chloro-4-fluoro-bromotoluene
SMILES CC1=C(Cl)C=C(F)C(Br)=C1

Description

1-Bromo-4-chloro-2-fluoro-5-methylbenzene features a tri-substituted aromatic core with orthogonal halogen handles and a methyl group at the 5-position. This electron-deficient scaffold enables selective cross-coupling reactions under palladium catalysis, offering high functional group tolerance and stability during process development workflows.

Application

1-Bromo-4-chloro-2-fluoro-5-methylbenzene serves as a versatile building block for constructing substituted aromatic scaffolds in medicinal chemistry and materials science. Its complementary halogenation pattern enables sequential cross-coupling reactions via Pd-catalyzed protocols, with the bromo group typically reacting first under mild conditions. The molecule exhibits good bench stability, facilitates straightforward purification, and demonstrates broad functional group tolerance, making it well-suited for iterative synthesis of complex heterocycles and API intermediates.

Synthesis

Route1
- In-stock
  
  452-73-3
- ~72%
- In-stock
  
  200190-87-0
References
- Wang; Duan; Wiebe; Balzarini; De Clercq; Knaus Nucleosides, Nucleotides and Nucleic Acids, 2001 , vol. 20, # 1-2 p. 11 - 40

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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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-4-chloro-2-fluoro-5-methylbenzene

CAS No. 200190-87-0

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