Description

1-Bromo-4-pentylbenzene (CAS No. 51554-95-1) is a high-purity aromatic bromine compound with the molecular formula C₁₁H₁₅Br. This organic intermediate features a pentyl chain attached to a benzene ring brominated at the para position, making it a versatile building block for synthetic chemistry applications. With a molecular weight of 227.14 g/mol, it is a clear to pale yellow liquid at room temperature, soluble in common organic solvents such as ethanol, ether, and dichloromethane. Ideal for researchers in pharmaceuticals, agrochemicals, and materials science, this compound is rigorously tested for purity (typically ≥95% by GC) and consistency. Proper storage under inert conditions (e.g., nitrogen atmosphere) at 2-8°C is recommended to ensure long-term stability.

Properties

• CAS Number: 51554-95-1
• Complexity: 104
• IUPAC Name: 1-bromo-4-pentyl-benzene
• InChI: InChI=1S/C11H15Br/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5H2,1H3
• InChI Key: SGCJPYYTVBHQGE-UHFFFAOYSA-N
• Exact Mass: 226.03571
• Molecular Formula: C11H15Br
• Molecular Weight: 227.14
• SMILES: CCCCCC1=CC=C(C=C1)Br
• Monoisotopic Mass: 226.03571
• Synonyms: 1-Bromo-4-pentylbenzene, 51554-95-1, DTXSID70370823, DTXCID90321857, 472-220-9, 4-Pentylbromobenzene, 1-bromo-4-n-pentylbenzene, 4-n-pentylbromobenzene, 1-bromo-4-pentyl-benzene, 4-Bromopentylbenzene, MFCD00061113, 4-bromo-n-pentylbenzene, 4-n-amylbromobenzene, p-bromopentylbenzene, Benzene, 1-bromo-4-pentyl-, 1-Amyl-4-bromobenzene, Monobromamylbenzol, 1-Bromo-4-pentylbenzene; 4-Pentylbromobenzene; 4-n-Pentylbromobenzene; p-Pentylbromobenzene; p-Pentylphenyl Bromide;, 4-pentyl-bromobenzene, 1 -bromo-4-pentylbenzene, 4-Pentylbromobenzene, 97%, SCHEMBL1046202, SCHEMBL1815390, SCHEMBL27453409, SCHEMBL27454262, SCHEMBL27916482, AKOS005080911, CS-W010418, SB66344, B1605, NS00125286, ST50408564, 12N-191

Application

1-Bromo-4-pentylbenzene is widely used as a key intermediate in organic synthesis, particularly in the preparation of liquid crystals and advanced materials. It serves as a precursor for Suzuki and other cross-coupling reactions to create complex aromatic systems. Researchers also employ it in the development of pharmaceutical compounds and agrochemicals due to its reactive bromine moiety.

Safety and Hazards

GHS Hazard Statements

• H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P273, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (75%)
• Eye Dam. 1 (50%)
• Eye Irrit. 2 (25%)
• Aquatic Acute 1 (50%)
• Aquatic Chronic 1 (50%)

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