5-Bromo-1-chloro-2,3-difluorobenzene

Name: 5-Bromo-1-chloro-2,3-difluorobenzene
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 1060813-07-1
Cat. No. CS-0060181
Purity≥98%
MDL No.MFCD11845915

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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-chloro-2,3-difluorobenzene|CS-0060181

Structure of 1060813-07-1

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General Information

CAS No. 1060813-07-1
Cat. No. CS-0060181
Purity ≥98%
MDL No. MFCD11845915
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₂BrClF₂
Molecular Weight None
Synonym(s) 3,4-Difluoro-5-chloro-1-bromobenzene
SMILES C1=C(C=C(C(=C1Cl)F)F)Br

Description

5-Bromo-1-chloro-2,3-difluorobenzene features a highly functionalized aromatic core with complementary halogen handles. The ortho-fluoro substitution enhances electrophilic reactivity, while the meta-bromo and para-chloro groups enable selective cross-coupling transformations. This bench-stable scaffold integrates efficiently into complex molecular architectures.

Application

5-Bromo-1-chloro-2,3-difluorobenzene serves as a versatile building block in medicinal chemistry and materials science, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal halogen reactivity. The bromo group facilitates Suzuki, Stille, and Negishi couplings, while the chloro and difluoro substituents enhance metabolic stability and modulate electronic properties. Its bench-stable nature and compatibility with standard synthetic protocols make it ideal for constructing complex aromatic scaffolds in API development.

Synthesis

Route1
- 149144-05-8
- ~70%
- In-stock
  
  1060813-07-1
References
- Anacor Pharmaceuticals, Inc.; Eli Lilly and Company; Akama, Tsutomu; Balko, Terry William; Defauw, Jean Marie; Plattner, Jacob J.; White, William Hunter; Winkle, Joseph Raymond; Zhang, Yong-Kang; Zhou, Yasheen Patent: US2013/131016 A1, 2013 ; Location in patent: Paragraph 0319; 0320 ;

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 : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 0
LogP 3.3807
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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5-Bromo-1-chloro-2,3-difluorobenzene

CAS No. 1060813-07-1

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