1-Bromo-4-hexylbenzene

Name: 1-Bromo-4-hexylbenzene
Brand: ChemScene
Availability: InStock
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CAS No. 23703-22-2
Cat. No. CS-0020120
Molecule weightNone
Purity≥96%
MDL No.MFCD00061114

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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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Structure of 23703-22-2

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General Information

CAS No. 23703-22-2
Cat. No. CS-0020120
Purity ≥96%
MDL No. MFCD00061114
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₇Br
Molecular Weight None
Synonym(s) 1-(4-Bromophenyl)hexane; 4-Hexylphenyl bromide; 4-n-Hexylbromobenzene; p-Bromo-1-hexylbenzene; p-Bromo-n-hexylbenzene; 4-Hexylbromobenzene; 1-Bromo-4-hexylbenzene
SMILES CCCCCCC1=CC=C(Br)C=C1

Description

1-Bromo-4-hexylbenzene features a para-substituted benzene ring bearing a bromine atom and a linear hexyl chain, offering enhanced solubility in organic media. This combination enables efficient coupling reactions in cross-coupling protocols, where the halogen serves as a reliable electrophilic handle. The alkyl substituent improves handling and process compatibility under standard conditions.

Application

1-Bromo-4-hexylbenzene serves as a versatile aryl halide building block for palladium-catalyzed cross-coupling reactions, including Suzuki, Stille, and Negishi transformations. The hexyl chain imparts enhanced solubility and facilitates purification, while the bromine functionality enables reliable functionalization under standard conditions. This compound is bench-stable and compatible with diverse synthetic workflows in medicinal chemistry and materials science.

Synthesis

Route1
- In-stock
  
  7295-46-7
- ~49%
- In-stock
  
  23703-22-2
References
- Bulletin of the Korean Chemical Society, , vol. 33, # 2 p. 541 - 548
Route2
- In-stock
  
  1746-28-7
- 693-04-9
- ~99%
- In-stock
  
  23703-22-2
References
- Journal of the American Chemical Society, , vol. 124, # 16 p. 4222 - 4223
Route3
- 84913-19-9
- 693-04-9
- ~70%
- In-stock
  
  23703-22-2
References
- Chemistry Letters, , vol. 32, # 10 p. 890 - 891

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 4.5719
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 5

Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Material Science Material Composite Block Liquid Crystal (LC) Block

Material Science Solar Cell Materials Donor Intermediate DI

Material Science Material Building Blocks Liquid Crystal (LC) Building Blocks Bromobenzenes

Key Words

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1-Bromo-4-hexylbenzene

CAS No. 23703-22-2

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