3-Bromo-4-fluorochlorobenzene

Name: 3-Bromo-4-fluorochlorobenzene
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 1996-30-1
Cat. No. CS-W015146
Purity≥98%
MDL No.MFCD00672934

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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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3-Bromo-4-fluorochlorobenzene|CS-W015146

Structure of 1996-30-1

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General Information

CAS No. 1996-30-1
Cat. No. CS-W015146
Purity ≥98%
MDL No. MFCD00672934
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃BrClF
Molecular Weight 209.44
Synonym(s) 2-Bromo-4-chloro-1-fluorobenzene
SMILES BrC1=C(C=CC(=C1)Cl)F

Description

3-Bromo-4-fluorochlorobenzene features a trifunctional aromatic core with complementary halogen handles enabling sequential cross-coupling. The ortho-bromo and para-fluoro substituents facilitate palladium-catalyzed transformations, while the chloro group offers orthogonal reactivity. This electron-deficient scaffold supports efficient diversification in medicinal chemistry and materials synthesis under standard conditions.

Application

3-Bromo-4-fluorochlorobenzene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal halogen reactivity. The bromo group facilitates efficient Suzuki, Stille, or Negishi coupling, while the fluorine and chloro substituents offer enhanced metabolic stability and modulate electronic properties. Bench-stable and readily purified by distillation, it functions reliably in multi-step syntheses of complex heterocyclic scaffolds and pharmaceutical intermediates.

Synthesis

Route1
- In-stock
  
  873-38-1
- ~%
- In-stock
  
  1996-30-1
References
- Medicinal Chemistry Research, , vol. 16, # 5 p. 205 - 212

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 3.2416
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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3-Bromo-4-fluorochlorobenzene

CAS No. 1996-30-1

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