Description

1-Bromo-4-butylbenzene (CAS No. 41492-05-1) is a high-purity aromatic bromide compound with the molecular formula C₁₀H₁₃Br. This organic intermediate features a bromine substituent on the para position of a butyl-substituted benzene ring, making it a valuable building block for synthetic chemistry applications. With a molecular weight of 213.12 g/mol, it is commonly utilized in pharmaceutical, agrochemical, and materials science research. Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed containers under inert gas to maintain stability. Ideal for Suzuki couplings, Grignard reactions, and other palladium-catalyzed cross-coupling methodologies.

Key Features:

• High reactivity for functional group transformations
• Stable under recommended storage conditions (2-8°C, inert atmosphere)
• Compatible with organometallic reaction conditions
• Available in research quantities (100mg to 10kg scale)
• MSDS and analytical data provided with shipment

Properties

• CAS Number: 41492-05-1
• Complexity: 93
• IUPAC Name: 1-bromo-4-butyl-benzene
• InChI: InChI=1S/C10H13Br/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3
• InChI Key: BRGVKVZXDWGJBX-UHFFFAOYSA-N
• Exact Mass: 212.02006
• Molecular Formula: C10H13Br
• Molecular Weight: 213.11
• SMILES: CCCCC1=CC=C(C=C1)Br
• Monoisotopic Mass: 212.02006
• Synonyms: 1-Bromo-4-butylbenzene, 41492-05-1, DTXSID10334540, DTXCID20285630, 472-210-4, 1-Bromo-4-n-Butylbenzene, 4-Bromo-n-butylbenzene, MFCD00040934, Benzene, 1-bromo-4-butyl-, 4-n-Butylbromobenzene, P-BROMOBUTYLBENZENE, 1-Bromo-4-ButYl-Benzene, 1-Bromo-4-(n-butyl)benzene, 4-butyl-bromobenzene, 4-1-Butylbromobenzene, 4-(butyl)phenylbromide, 1-bromo-4-butyl benzene, 1-Bromo-4-butylbenzene #, 4-(But-1-yl)bromobenzene, SCHEMBL687846, SCHEMBL1005011, 1-Bromo-4-butylbenzene, 97%, SCHEMBL18378139, SCHEMBL21268276, SCHEMBL27464296, SCHEMBL28144855, SCHEMBL28697416, STR02736, AKOS005256901, CS-W014978, FB61874, SB66327, AC-14645, SY013489, DB-019080, B1907, NS00077859, ST50405192, EN300-91217, InChI=1/C10H13Br/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H

Application

1-Bromo-4-butylbenzene serves as a versatile intermediate in organic synthesis, particularly for constructing complex aromatic systems through cross-coupling reactions. Researchers employ this compound in the development of liquid crystal materials due to its mesogenic core structure. The butyl chain enhances solubility in non-polar media, making it useful for phase-transfer catalysis studies. In medicinal chemistry, it functions as a precursor for bioactive molecules targeting CNS disorders.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H400 (33.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
• H410 (33.3%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (66.7%)
• STOT SE 3 (33.3%)
• Aquatic Acute 1 (33.3%)
• Aquatic Chronic 1 (33.3%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.