1-Bromo-4-butylbenzene

Name: 1-Bromo-4-butylbenzene
Brand: ChemScene
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CAS No. 41492-05-1
Cat. No. CS-W014978
Purity≥96%
MDL No.MFCD00040934

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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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General Information

CAS No. 41492-05-1
Cat. No. CS-W014978
Purity ≥96%
MDL No. MFCD00040934
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₃Br
Molecular Weight 213.12
Synonym(s) 4-n-Butylbromobenzene
SMILES CCCCC1=CC=C(Br)C=C1

Description

1-Bromo-4-butylbenzene features a butyl chain appended to a para-brominated benzene ring, delivering enhanced lipophilicity and structural rigidity. This configuration enables efficient incorporation into cross-coupling reactions, particularly Suzuki-Miyaura processes, where the bromine serves as a reliable coupling handle. The molecule exhibits excellent stability under standard conditions and facilitates the construction of complex aromatic architectures in synthetic workflows.

Application

1-Bromo-4-butylbenzene serves as a versatile aryl halide building block in cross-coupling reactions, enabling efficient C–C bond formation via palladium-catalyzed methodologies. The butyl substituent provides favorable lipophilicity and steric profile for downstream applications in medicinal chemistry and materials science. Bench-stable and readily purified by distillation or chromatography, it exhibits excellent functional group tolerance and compatibility with standard reaction conditions.

Safety Information

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GHS Pictogram :	GHS No : GHS05,GHS09
Signal Word : Danger	UN#: 3082
Class : 9	Packing Group : Ⅲ
Hazard Statements : H315-H318-H410
Precautionary Statements : P264-P273-P280-P302+P352-P362+P364-P391-P501

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Computational Chemistry Data

TPSA 0
LogP 3.7917
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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

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1-Bromo-4-butylbenzene

CAS No. 41492-05-1

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